5-[(3-cyanophenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-cyanophenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-cyanophenyl)carbamoylamino]-5-oxo-pentanoic acid CAS Name: 5-[[(3-cyanoanilino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-cyanophenyl)carbamoylamino]-5-oxopentanoic acid Traditional Name: 5-[(3-cyanophenyl)carbamoylamino]-5-keto-valeric acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4/c14-8-9-3-1-4-10(7-9)15-13(20)16-11(17)5-2-6-12(18)19/h1,3-4,7H,2,5-6H2,(H,18,19)(H2,15,16,17,20)