4-[[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(2-nitroanilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(2-nitroanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-nitroanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-keto-2-(2-nitroanilino)ethyl]amino]butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CNCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CNCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c16-11(8-13-7-3-6-12(17)18)14-9-4-1-2-5-10(9)15(19)20/h1-2,4-5,13H,3,6-8H2,(H,14,16)(H,17,18)