ethyl 4-[3-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: ethyl 4-[3-[(E)-2-cyano-3-(methylamino)-3-oxidanylidene-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-[(E)-2-cyano-3-(methylamino)-3-oxo-prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-[(E)-2-cyano-3-keto-3-(methylamino)prop-1-enyl]-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=C2C)/C=C(\C#N)/C(=O)NC)C

InChI

InChI=1S/C20H21N3O3/c1-5-26-20(25)15-6-8-18(9-7-15)23-13(2)10-16(14(23)3)11-17(12-21)19(24)22-4/h6-11H,5H2,1-4H3,(H,22,24)/b17-11+