4-[(2-chloroethyldiazenyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-chloroethyldiazenyl)-(phenylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[benzyl(2-chloroethylazo)amino]-4-oxo-butanoic acid CAS Name: 4-[2-chloroethylazo-(phenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[benzyl-(2-chloroethyldiazenyl)amino]-4-oxobutanoic acid Traditional Name: 4-[benzyl(2-chloroethylazo)amino]-4-keto-butyric acid Formula: C13H16ClN3O3 MolecularWeight: 297.73744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C(=O)CCC(=O)O)N=NCCCl

Isomeric SMILES

C1=CC=C(C=C1)CN(C(=O)CCC(=O)O)N=NCCCl

InChI

InChI=1S/C13H16ClN3O3/c14-8-9-15-16-17(12(18)6-7-13(19)20)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20)