methyl 2,4-dicyano-2-(1H-indol-3-yl)butanoate

Systemtic Name: methyl 2,4-dicyano-2-(1H-indol-3-yl)butanoate Openeye Name: methyl 2,4-dicyano-2-(1H-indol-3-yl)butanoate CAS Name: 2,4-dicyano-2-(1H-indol-3-yl)butanoic acid methyl ester IUPAC Name: methyl 2,4-dicyano-2-(1H-indol-3-yl)butanoate Traditional Name: 2,4-dicyano-2-(1H-indol-3-yl)butyric acid methyl ester Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#N)(C#N)C1=CNC2=CC=CC=C21

Isomeric SMILES

COC(=O)C(CCC#N)(C#N)C1=CNC2=CC=CC=C21

InChI

InChI=1S/C15H13N3O2/c1-20-14(19)15(10-17,7-4-8-16)12-9-18-13-6-3-2-5-11(12)13/h2-3,5-6,9,18H,4,7H2,1H3