ethyl 4-[3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-ethanoyl-2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoate CAS Name: 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2H-pyrrol-1-yl]benzoate Traditional Name: 4-[4-acetyl-3-hydroxy-2-keto-5-(3-nitrophenyl)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O7/c1-3-30-21(27)13-7-9-15(10-8-13)22-18(17(12(2)24)19(25)20(22)26)14-5-4-6-16(11-14)23(28)29/h4-11,18,25H,3H2,1-2H3