methyl 2,4-dimethoxy-3-(4-nitrophenyl)carbonyl-5-oxidanylidene-1-phenyl-pyrrole-2-carboxylate

Systemtic Name: methyl 2,4-dimethoxy-3-(4-nitrophenyl)carbonyl-5-oxidanylidene-1-phenyl-pyrrole-2-carboxylate Openeye Name: methyl 2,4-dimethoxy-3-(4-nitrobenzoyl)-5-oxo-1-phenyl-pyrrole-2-carboxylate CAS Name: 2,4-dimethoxy-3-[(4-nitrophenyl)-oxomethyl]-5-oxo-1-phenyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethoxy-3-(4-nitrobenzoyl)-5-oxo-1-phenylpyrrole-2-carboxylate Traditional Name: 5-keto-2,4-dimethoxy-3-(4-nitrobenzoyl)-1-phenyl-3-pyrroline-2-carboxylic acid methyl ester Formula: C21H18N2O8 MolecularWeight: 426.37622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(N(C1=O)C2=CC=CC=C2)(C(=O)OC)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(N(C1=O)C2=CC=CC=C2)(C(=O)OC)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O8/c1-29-18-16(17(24)13-9-11-15(12-10-13)23(27)28)21(31-3,20(26)30-2)22(19(18)25)14-7-5-4-6-8-14/h4-12H,1-3H3