methyl 2-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)indol-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(2-cyano-3-oxidanylidene-3-phenylazanyl-prop-1-enyl)indol-1-yl]ethanoate Openeye Name: methyl 2-[3-(3-anilino-2-cyano-3-oxo-prop-1-enyl)indol-1-yl]acetate CAS Name: 2-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-1-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)indol-1-yl]acetate Traditional Name: 2-[3-(3-anilino-2-cyano-3-keto-prop-1-enyl)indol-1-yl]acetic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3/c1-27-20(25)14-24-13-16(18-9-5-6-10-19(18)24)11-15(12-22)21(26)23-17-7-3-2-4-8-17/h2-11,13H,14H2,1H3,(H,23,26)