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

Systemtic Name: methyl 4-[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-[(3-cyano-4,5-dimethyl-1-phenyl-2-pyrrolyl)amino]-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-[(3-cyano-4,5-dimethyl-1-phenylpyrrol-2-yl)amino]-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-[(3-cyano-4,5-dimethyl-1-phenyl-pyrrol-2-yl)amino]-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C23H20N4O6 MolecularWeight: 448.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-])C3=CC=CC=C3)C

InChI

InChI=1S/C23H20N4O6/c1-14-15(2)26(17-7-5-4-6-8-17)22(18(14)12-24)25-21(28)13-33-20-10-9-16(23(29)32-3)11-19(20)27(30)31/h4-11H,13H2,1-3H3,(H,25,28)