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

Systemtic Name: methyl 3-[(E)-3-oxidanylidene-3-phenylazanyl-prop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[(E)-3-anilino-3-oxo-prop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylate CAS Name: 3-[(E)-3-anilino-3-oxoprop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(E)-3-anilino-3-oxoprop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylate Traditional Name: 3-[(E)-3-anilino-3-keto-prop-1-enyl]-5-phenyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(N1)C2=CC=CC=C2)C=CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(N1)C2=CC=CC=C2)/C=C/C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3/c1-26-21(25)20-16(14-18(23-20)15-8-4-2-5-9-15)12-13-19(24)22-17-10-6-3-7-11-17/h2-14,23H,1H3,(H,22,24)/b13-12+