5-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-chloro-4-cyano-phenyl)carbamoylamino]-5-oxo-pentanoic acid CAS Name: 5-[[(3-chloro-4-cyanoanilino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(3-chloro-4-cyanophenyl)carbamoylamino]-5-oxopentanoic acid Traditional Name: 5-[(3-chloro-4-cyano-phenyl)carbamoylamino]-5-keto-valeric acid Formula: C13H12ClN3O4 MolecularWeight: 309.70508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC(=O)CCCC(=O)O)Cl)C#N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC(=O)CCCC(=O)O)Cl)C#N

InChI

InChI=1S/C13H12ClN3O4/c14-10-6-9(5-4-8(10)7-15)16-13(21)17-11(18)2-1-3-12(19)20/h4-6H,1-3H2,(H,19,20)(H2,16,17,18,21)