[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrrol-1-ylbenzoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C20H17N3O5/c1-14(19(24)21-16-6-10-18(11-7-16)23(26)27)28-20(25)15-4-8-17(9-5-15)22-12-2-3-13-22/h2-14H,1H3,(H,21,24)