2-[[5-(4-methylphenyl)carbonyl-2-nitro-phenyl]methylamino]butanoic acid

Systemtic Name: 2-[[5-(4-methylphenyl)carbonyl-2-nitro-phenyl]methylamino]butanoic acid Openeye Name: 2-[[5-(4-methylbenzoyl)-2-nitro-phenyl]methylamino]butanoic acid CAS Name: 2-[[5-[(4-methylphenyl)-oxomethyl]-2-nitrophenyl]methylamino]butanoic acid IUPAC Name: 2-[[5-(4-methylbenzoyl)-2-nitrophenyl]methylamino]butanoic acid Traditional Name: 2-[(2-nitro-5-p-toluoyl-benzyl)amino]butyric acid Formula: C19H20N2O5 MolecularWeight: 356.3725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NCC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NCC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-3-16(19(23)24)20-11-15-10-14(8-9-17(15)21(25)26)18(22)13-6-4-12(2)5-7-13/h4-10,16,20H,3,11H2,1-2H3,(H,23,24)