4-[(4-aminocarbonyl-2-nitro-phenyl)-methyl-amino]butanoic acid

Systemtic Name: 4-[(4-aminocarbonyl-2-nitro-phenyl)-methyl-amino]butanoic acid Openeye Name: 4-(4-carbamoyl-N-methyl-2-nitro-anilino)butanoic acid CAS Name: 4-(4-carbamoyl-N-methyl-2-nitroanilino)butanoic acid IUPAC Name: 4-(4-carbamoyl-N-methyl-2-nitroanilino)butanoic acid Traditional Name: 4-(4-carbamoyl-N-methyl-2-nitro-anilino)butyric acid Formula: C12H15N3O5 MolecularWeight: 281.2646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(CCCC(=O)O)C1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-14(6-2-3-11(16)17)9-5-4-8(12(13)18)7-10(9)15(19)20/h4-5,7H,2-3,6H2,1H3,(H2,13,18)(H,16,17)