methyl 3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-4,5-diphenyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-4,5-diphenyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(E)-3-anilino-3-oxo-prop-1-enyl]-4,5-diphenyl-1H-pyrrole-2-carboxylate CAS Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,5-diphenyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,5-diphenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-[(E)-3-anilino-3-keto-prop-1-enyl]-4,5-diphenyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C27H22N2O3 MolecularWeight: 422.47518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C=CC(=O)NC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)/C=C/C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H22N2O3/c1-32-27(31)26-22(17-18-23(30)28-21-15-9-4-10-16-21)24(19-11-5-2-6-12-19)25(29-26)20-13-7-3-8-14-20/h2-18,29H,1H3,(H,28,30)/b18-17+