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

Systemtic Name: ethyl 4-[3-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 4-[3-(3-amino-2-cyano-3-oxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[3-(3-amino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-amino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(3-amino-2-cyano-3-keto-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C19H19N3O3 MolecularWeight: 337.37246

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O3/c1-4-25-19(24)14-5-7-17(8-6-14)22-12(2)9-15(13(22)3)10-16(11-20)18(21)23/h5-10H,4H2,1-3H3,(H2,21,23)