1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]indole-3-carboxylic acid

Systemtic Name: 1-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]indole-3-carboxylic acid Openeye Name: 1-[2-(2-cyanoethylamino)-2-oxo-ethyl]indole-3-carboxylic acid CAS Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]-3-indolecarboxylic acid IUPAC Name: 1-[2-(2-cyanoethylamino)-2-oxoethyl]indole-3-carboxylic acid Traditional Name: 1-[2-(2-cyanoethylamino)-2-keto-ethyl]indole-3-carboxylic acid Formula: C14H13N3O3 MolecularWeight: 271.27132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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