4-[[2-chloranyl-5-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-methyl-amino]butanoic acid

Systemtic Name: 4-[[2-chloranyl-5-[(E)-N'-oxidanylcarbamimidoyl]phenyl]-methyl-amino]butanoic acid Openeye Name: 4-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]-N-methyl-anilino]butanoic acid CAS Name: 4-[5-[(E)-amino(hydroxyimino)methyl]-2-chloro-N-methylanilino]butanoic acid IUPAC Name: 4-[2-chloro-5-[(E)-N'-hydroxycarbamimidoyl]-N-methylanilino]butanoic acid Traditional Name: 4-[5-[(E)-aminocarbohydroximoyl]-2-chloro-N-methyl-anilino]butyric acid Formula: C12H16ClN3O3 MolecularWeight: 285.72674

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=C(C=CC(=C1)C(=NO)N)Cl

Isomeric SMILES

CN(CCCC(=O)O)C1=C(C=CC(=C1)/C(=N\O)/N)Cl

InChI

InChI=1S/C12H16ClN3O3/c1-16(6-2-3-11(17)18)10-7-8(12(14)15-19)4-5-9(10)13/h4-5,7,19H,2-3,6H2,1H3,(H2,14,15)(H,17,18)