ethyl 4-[(E)-[1-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-5-phenyl-pyrrol-3-ylidene]methyl]benzoate

Systemtic Name: ethyl 4-[(E)-[1-(5-nitro-2-oxidanyl-phenyl)-2-oxidanylidene-5-phenyl-pyrrol-3-ylidene]methyl]benzoate Openeye Name: ethyl 4-[(E)-[1-(2-hydroxy-5-nitro-phenyl)-2-oxo-5-phenyl-pyrrol-3-ylidene]methyl]benzoate CAS Name: 4-[(E)-[1-(2-hydroxy-5-nitrophenyl)-2-oxo-5-phenyl-3-pyrrolylidene]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-[1-(2-hydroxy-5-nitrophenyl)-2-oxo-5-phenylpyrrol-3-ylidene]methyl]benzoate Traditional Name: 4-[(E)-[1-(2-hydroxy-5-nitro-phenyl)-2-keto-5-phenyl-2-pyrrolin-3-ylidene]methyl]benzoic acid ethyl ester Formula: C26H20N2O6 MolecularWeight: 456.4468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C2C=C(N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C/2\C=C(N(C2=O)C3=C(C=CC(=C3)[N+](=O)[O-])O)C4=CC=CC=C4

InChI

InChI=1S/C26H20N2O6/c1-2-34-26(31)19-10-8-17(9-11-19)14-20-15-22(18-6-4-3-5-7-18)27(25(20)30)23-16-21(28(32)33)12-13-24(23)29/h3-16,29H,2H2,1H3/b20-14+