1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-2,3-dimethyl-indole-5-carboxylic acid

Systemtic Name: 1-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]-2,3-dimethyl-indole-5-carboxylic acid Openeye Name: 1-[2-(cyanomethylamino)-2-oxo-ethyl]-2,3-dimethyl-indole-5-carboxylic acid CAS Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-2,3-dimethyl-5-indolecarboxylic acid IUPAC Name: 1-[2-(cyanomethylamino)-2-oxoethyl]-2,3-dimethylindole-5-carboxylic acid Traditional Name: 1-[2-(cyanomethylamino)-2-keto-ethyl]-2,3-dimethyl-indole-5-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC(=O)NCC#N)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)O)CC(=O)NCC#N)C

InChI

InChI=1S/C15H15N3O3/c1-9-10(2)18(8-14(19)17-6-5-16)13-4-3-11(15(20)21)7-12(9)13/h3-4,7H,6,8H2,1-2H3,(H,17,19)(H,20,21)