[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethyl] ester Formula: C24H23N5O6 MolecularWeight: 477.46932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)C3=CC=CC=C3)C

InChI

InChI=1S/C24H23N5O6/c1-15-16(2)28(17-6-4-3-5-7-17)23(20(15)13-25)27-22(31)14-35-24(32)19-12-18(29(33)34)8-9-21(19)26-10-11-30/h3-9,12,26,30H,10-11,14H2,1-2H3,(H,27,31)