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

Systemtic Name: ethyl 3-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[3-(3-anilino-2-cyano-3-oxo-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 3-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 3-[3-(3-anilino-2-cyano-3-keto-prop-1-enyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid ethyl ester Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C(C#N)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C25H23N3O3/c1-4-31-25(30)19-9-8-12-23(15-19)28-17(2)13-20(18(28)3)14-21(16-26)24(29)27-22-10-6-5-7-11-22/h5-15H,4H2,1-3H3,(H,27,29)