4-azanyl-2-[(3-cyanophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(3-cyanophenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(3-cyanophenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(3-cyanoanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(3-cyanophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[(3-cyanophenyl)carbamoylamino]-4-keto-butyric acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4/c13-6-7-2-1-3-8(4-7)15-12(20)16-9(11(18)19)5-10(14)17/h1-4,9H,5H2,(H2,14,17)(H,18,19)(H2,15,16,20)