2-[1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]indol-3-yl]ethanoic acid Openeye Name: 2-[1-[2-(cyanomethylamino)-2-oxo-ethyl]indol-3-yl]acetic acid CAS Name: 2-[1-[2-(cyanomethylamino)-2-oxoethyl]-3-indolyl]acetic acid IUPAC Name: 2-[1-[2-(cyanomethylamino)-2-oxoethyl]indol-3-yl]acetic acid Traditional Name: 2-[1-[2-(cyanomethylamino)-2-keto-ethyl]indol-3-yl]acetic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)NCC#N)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)NCC#N)CC(=O)O

InChI

InChI=1S/C14H13N3O3/c15-5-6-16-13(18)9-17-8-10(7-14(19)20)11-3-1-2-4-12(11)17/h1-4,8H,6-7,9H2,(H,16,18)(H,19,20)