methyl 4-[(3S)-3-cyano-2-oxidanylidene-1H-indol-3-yl]benzoate

Systemtic Name: methyl 4-[(3S)-3-cyano-2-oxidanylidene-1H-indol-3-yl]benzoate Openeye Name: methyl 4-[(3S)-3-cyano-2-oxo-indolin-3-yl]benzoate CAS Name: 4-[(3S)-3-cyano-2-oxo-1H-indol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S)-3-cyano-2-oxo-1H-indol-3-yl]benzoate Traditional Name: 4-[(3S)-3-cyano-2-keto-indolin-3-yl]benzoic acid methyl ester Formula: C17H12N2O3 MolecularWeight: 292.28878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@]2(C3=CC=CC=C3NC2=O)C#N

InChI

InChI=1S/C17H12N2O3/c1-22-15(20)11-6-8-12(9-7-11)17(10-18)13-4-2-3-5-14(13)19-16(17)21/h2-9H,1H3,(H,19,21)/t17-/m0/s1