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

Systemtic Name: 4-[(3-chloranyl-4-cyano-phenyl)carbamoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-chloro-4-cyano-phenyl)carbamoylamino]-4-oxo-butanoic acid CAS Name: 4-[[(3-chloro-4-cyanoanilino)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(3-chloro-4-cyanophenyl)carbamoylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-chloro-4-cyano-phenyl)carbamoylamino]-4-keto-butyric acid Formula: C12H10ClN3O4 MolecularWeight: 295.6785

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN3O4/c13-9-5-8(2-1-7(9)6-14)15-12(20)16-10(17)3-4-11(18)19/h1-2,5H,3-4H2,(H,18,19)(H2,15,16,17,20)