4-(2-aminophenyl)-2-azanyl-2-(2-cyanoethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-aminophenyl)-2-azanyl-2-(2-cyanoethyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-(2-aminophenyl)-2-(2-cyanoethyl)-4-oxo-butanoic acid CAS Name: 2-amino-4-(2-aminophenyl)-2-(2-cyanoethyl)-4-oxobutanoic acid IUPAC Name: 2-amino-4-(2-aminophenyl)-2-(2-cyanoethyl)-4-oxobutanoic acid Traditional Name: 2-amino-4-(2-aminophenyl)-2-(2-cyanoethyl)-4-keto-butyric acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)CC(CCC#N)(C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)CC(CCC#N)(C(=O)O)N)N

InChI

InChI=1S/C13H15N3O3/c14-7-3-6-13(16,12(18)19)8-11(17)9-4-1-2-5-10(9)15/h1-2,4-5H,3,6,8,15-16H2,(H,18,19)