[3-(cyanomethyl)-1,3-dimethyl-2-oxidanylidene-indol-5-yl] ethanoate

Systemtic Name: [3-(cyanomethyl)-1,3-dimethyl-2-oxidanylidene-indol-5-yl] ethanoate Openeye Name: [3-(cyanomethyl)-1,3-dimethyl-2-oxo-indolin-5-yl] acetate CAS Name: acetic acid [3-(cyanomethyl)-1,3-dimethyl-2-oxo-5-indolyl] ester IUPAC Name: [3-(cyanomethyl)-1,3-dimethyl-2-oxoindol-5-yl] acetate Traditional Name: acetic acid [3-(cyanomethyl)-2-keto-1,3-dimethyl-indolin-5-yl] ester Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)N(C(=O)C2(C)CC#N)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)N(C(=O)C2(C)CC#N)C

InChI

InChI=1S/C14H14N2O3/c1-9(17)19-10-4-5-12-11(8-10)14(2,6-7-15)13(18)16(12)3/h4-5,8H,6H2,1-3H3