(phenylmethyl) 5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: benzyl 5-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 5-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-3,4-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C)/C#N

InChI

InChI=1S/C20H20N2O4/c1-4-25-19(23)16(11-21)10-17-13(2)14(3)18(22-17)20(24)26-12-15-8-6-5-7-9-15/h5-10,22H,4,12H2,1-3H3/b16-10+