2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butanoic acid CAS Name: 2-[[(3-cyanoanilino)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methylbutanoic acid Traditional Name: 2-[(3-cyanophenyl)carbamoylamino]-3-methyl-butyric acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c1-8(2)11(12(17)18)16-13(19)15-10-5-3-4-9(6-10)7-14/h3-6,8,11H,1-2H3,(H,17,18)(H2,15,16,19)