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

Systemtic Name: 1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]indole-3-carboxylic acid Openeye Name: 1-[2-(cyanomethylamino)-2-oxo-ethyl]indole-3-carboxylic acid CAS Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-3-indolecarboxylic acid IUPAC Name: 1-[2-(cyanomethylamino)-2-oxoethyl]indole-3-carboxylic acid Traditional Name: 1-[2-(cyanomethylamino)-2-keto-ethyl]indole-3-carboxylic acid Formula: C13H11N3O3 MolecularWeight: 257.24474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O3/c14-5-6-15-12(17)8-16-7-10(13(18)19)9-3-1-2-4-11(9)16/h1-4,7H,6,8H2,(H,15,17)(H,18,19)