2-[3-[(4-methylphenyl)-(2-nitrophenyl)carbonyl-amino]propanoylamino]ethanoic acid

Systemtic Name: 2-[3-[(4-methylphenyl)-(2-nitrophenyl)carbonyl-amino]propanoylamino]ethanoic acid Openeye Name: 2-[3-(4-methyl-N-(2-nitrobenzoyl)anilino)propanoylamino]acetic acid CAS Name: 2-[[3-(4-methyl-N-[(2-nitrophenyl)-oxomethyl]anilino)-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[3-(4-methyl-N-(2-nitrobenzoyl)anilino)propanoylamino]acetic acid Traditional Name: 2-[3-(4-methyl-N-(2-nitrobenzoyl)anilino)propanoylamino]acetic acid Formula: C19H19N3O6 MolecularWeight: 385.37066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCC(=O)NCC(=O)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCC(=O)NCC(=O)O)C(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-13-6-8-14(9-7-13)21(11-10-17(23)20-12-18(24)25)19(26)15-4-2-3-5-16(15)22(27)28/h2-9H,10-12H2,1H3,(H,20,23)(H,24,25)