4-[1-(cyanomethyl)-2,3-dihydroindol-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[1-(cyanomethyl)-2,3-dihydroindol-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-(cyanomethyl)indolin-5-yl]-4-oxo-butanoic acid CAS Name: 4-[1-(cyanomethyl)-2,3-dihydroindol-5-yl]-4-oxobutanoic acid IUPAC Name: 4-[1-(cyanomethyl)-2,3-dihydroindol-5-yl]-4-oxobutanoic acid Traditional Name: 4-[1-(cyanomethyl)indolin-5-yl]-4-keto-butyric acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=O)CCC(=O)O)CC#N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=O)CCC(=O)O)CC#N

InChI

InChI=1S/C14H14N2O3/c15-6-8-16-7-5-10-9-11(1-2-12(10)16)13(17)3-4-14(18)19/h1-2,9H,3-5,7-8H2,(H,18,19)