5-[(2-cyanophenyl)carbamoylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(2-cyanophenyl)carbamoylamino]-5-oxidanylidene-pentanoate Openeye Name: 5-[(2-cyanophenyl)carbamoylamino]-5-oxo-pentanoate CAS Name: 5-[[(2-cyanoanilino)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: 5-[(2-cyanophenyl)carbamoylamino]-5-oxopentanoate Traditional Name: 5-[(2-cyanophenyl)carbamoylamino]-5-keto-valerate Formula: C13H12N3O4- MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)NC(=O)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)NC(=O)NC(=O)CCCC(=O)[O-]

InChI

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