methyl 3-[3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate

Systemtic Name: methyl 3-[3-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: methyl 3-[3-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-[3-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC=CC(=C2C)C(=O)OC)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC=CC(=C2C)C(=O)OC)C)/C#N

InChI

InChI=1S/C21H22N2O4/c1-6-27-20(24)17(12-22)11-16-10-13(2)23(15(16)4)19-9-7-8-18(14(19)3)21(25)26-5/h7-11H,6H2,1-5H3/b17-11+