Product OPENEYE NAME: 3H-indole-3-carboxylic acid
CAS Name: 3H-indole-3-carboxylic acid
IUPAC NAME: 3H-indole-3-carboxylic acid
SYSTEMATIC NAME: 3H-indole-3-carboxylic acid
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1=CC=C2C(=C1)C(C=N2)C(=O)O
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Product OPENEYE NAME: ethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-3-methyl-butanoate
CAS Name: (2Z)-2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)imino]-3-methylbutanoic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-3-methylbutanoate
SYSTEMATIC NAME: ethyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-3-methyl-butanoate
MOLECULAR FORMULA: C18H19N3O2S
MOLECULAR WEIGHT: 341.42736
SMILES: CCOC(=O)/C(=N\N1C2=C(C=CC3=CC=CC=C32)SC1=N)/C(C)C
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Product OPENEYE NAME: ethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-4-methyl-pentanoate
CAS Name: (2Z)-2-[(2-imino-1-benzo[e][1,3]benzothiazolyl)imino]-4-methylpentanoic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-(2-iminobenzo[e][1,3]benzothiazol-1-yl)imino-4-methylpentanoate
SYSTEMATIC NAME: ethyl (2Z)-2-(2-azanylidenebenzo[e][1,3]benzothiazol-1-yl)imino-4-methyl-pentanoate
MOLECULAR FORMULA: C19H21N3O2S
MOLECULAR WEIGHT: 355.45394
SMILES: CCOC(=O)/C(=N\N1C2=C(C=CC3=CC=CC=C32)SC1=N)/CC(C)C
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Product OPENEYE NAME: 2-[(cyclohexylamino)methyl]aniline
CAS Name: 2-[(cyclohexylamino)methyl]aniline
IUPAC NAME: 2-[(cyclohexylamino)methyl]aniline
SYSTEMATIC NAME: 2-[(cyclohexylamino)methyl]aniline
MOLECULAR FORMULA: C13H20N2
MOLECULAR WEIGHT: 204.3113
SMILES: C1CCC(CC1)NCC2=CC=CC=C2N
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Product OPENEYE NAME: 1-[3-ethyl-1,2,5-tris(trifluoromethyl)cyclopenta-2,4-dien-1-yl]propan-1-ol
CAS Name: 1-[3-ethyl-1,2,5-tris(trifluoromethyl)-1-cyclopenta-2,4-dienyl]-1-propanol
IUPAC NAME: 1-[3-ethyl-1,2,5-tris(trifluoromethyl)cyclopenta-2,4-dien-1-yl]propan-1-ol
SYSTEMATIC NAME: 1-[3-ethyl-1,2,5-tris(trifluoromethyl)cyclopenta-2,4-dien-1-yl]propan-1-ol
MOLECULAR FORMULA: C13H13F9O
MOLECULAR WEIGHT: 356.227349
SMILES: CCC1=C(C(C(=C1)C(F)(F)F)(C(CC)O)C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 6,7-dimethoxy-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
CAS Name: 6,7-dimethoxy-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
IUPAC NAME: 6,7-dimethoxy-4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
SYSTEMATIC NAME: 6,7-dimethoxy-4-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium
MOLECULAR FORMULA: C8H7N3O6
MOLECULAR WEIGHT: 241.15768
SMILES: COC1=C(C2=NO[N+](=C2C(=C1)[N+](=O)[O-])[O-])OC
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Product OPENEYE NAME: 5,6-dinitrospiro[1,3-benzodioxole-2,2'-adamantane]
CAS Name: 5,6-dinitrospiro[1,3-benzodioxole-2,2'-adamantane]
IUPAC NAME: 5,6-dinitrospiro[1,3-benzodioxole-2,2'-adamantane]
SYSTEMATIC NAME: 5,6-dinitrospiro[1,3-benzodioxole-2,2'-adamantane]
MOLECULAR FORMULA: C16H16N2O6
MOLECULAR WEIGHT: 332.30804
SMILES: C1C2CC3CC1CC(C2)C34OC5=C(O4)C=C(C(=C5)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 3-oxido-[1,3]dioxolo[4,5-g][2,1,3]benzoxadiazol-3-ium
CAS Name: 3-oxido-[1,3]dioxolo[4,5-g][2,1,3]benzoxadiazol-3-ium
IUPAC NAME: 3-oxido-[1,3]dioxolo[4,5-g][2,1,3]benzoxadiazol-3-ium
SYSTEMATIC NAME: 3-oxidanidyl-[1,3]dioxolo[4,5-g][2,1,3]benzoxadiazol-3-ium
MOLECULAR FORMULA: C7H4N2O4
MOLECULAR WEIGHT: 180.11766
SMILES: C1OC2=C(O1)C3=NO[N+](=C3C=C2)[O-]
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Product OPENEYE NAME: 3-oxido-7,8-dihydro-[1,4]dioxino[2,3-g][2,1,3]benzoxadiazol-3-ium
CAS Name: 3-oxido-7,8-dihydro-[1,4]dioxino[2,3-g][2,1,3]benzoxadiazol-3-ium
IUPAC NAME: 3-oxido-7,8-dihydro-[1,4]dioxino[2,3-g][2,1,3]benzoxadiazol-3-ium
SYSTEMATIC NAME: 3-oxidanidyl-7,8-dihydro-[1,4]dioxino[2,3-g][2,1,3]benzoxadiazol-3-ium
MOLECULAR FORMULA: C8H6N2O4
MOLECULAR WEIGHT: 194.14424
SMILES: C1COC2=C(O1)C=CC3=[N+](ON=C32)[O-]
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Product OPENEYE NAME: 3-oxido-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][2,1,3]benzoxadiazol-3-ium
CAS Name: 3-oxido-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][2,1,3]benzoxadiazol-3-ium
IUPAC NAME: 3-oxido-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][2,1,3]benzoxadiazol-3-ium
SYSTEMATIC NAME: 3-oxidanidyl-8,9-dihydro-7H-[1,4]dioxepino[2,3-g][2,1,3]benzoxadiazol-3-ium
MOLECULAR FORMULA: C9H8N2O4
MOLECULAR WEIGHT: 208.17082
SMILES: C1COC2=C(C3=NO[N+](=C3C=C2)[O-])OC1
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