4-[[4-methoxycarbonyl-5-methyl-1-(4-nitrophenyl)-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid

Systemtic Name: 4-[[4-methoxycarbonyl-5-methyl-1-(4-nitrophenyl)-2-oxidanylidene-pyrrol-3-ylidene]methyl]benzoic acid Openeye Name: 4-[[4-methoxycarbonyl-5-methyl-1-(4-nitrophenyl)-2-oxo-pyrrol-3-ylidene]methyl]benzoic acid CAS Name: 4-[[4-methoxycarbonyl-5-methyl-1-(4-nitrophenyl)-2-oxo-3-pyrrolylidene]methyl]benzoic acid IUPAC Name: 4-[[4-methoxycarbonyl-5-methyl-1-(4-nitrophenyl)-2-oxopyrrol-3-ylidene]methyl]benzoic acid Traditional Name: 4-[[4-carbomethoxy-2-keto-5-methyl-1-(4-nitrophenyl)-2-pyrrolin-3-ylidene]methyl]benzoic acid Formula: C21H16N2O7 MolecularWeight: 408.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=C(C=C2)C(=O)O)C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H16N2O7/c1-12-18(21(27)30-2)17(11-13-3-5-14(6-4-13)20(25)26)19(24)22(12)15-7-9-16(10-8-15)23(28)29/h3-11H,1-2H3,(H,25,26)