2-[[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(4-cyanoanilino)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(4-cyanoanilino)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H17N3O3 MolecularWeight: 275.30308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)NC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)NC1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H17N3O3/c1-9(2)13(14(19)20)16-8-12(18)17-11-5-3-10(7-15)4-6-11/h3-6,9,13,16H,8H2,1-2H3,(H,17,18)(H,19,20)