4-[methyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(4-methyl-3-nitro-phenyl)carbonyl-amino]butanoic acid Openeye Name: 4-[methyl-(4-methyl-3-nitro-benzoyl)amino]butanoic acid CAS Name: 4-[methyl-[(4-methyl-3-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[methyl-(4-methyl-3-nitrobenzoyl)amino]butanoic acid Traditional Name: 4-[methyl-(4-methyl-3-nitro-benzoyl)amino]butyric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(C)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(C)CCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O5/c1-9-5-6-10(8-11(9)15(19)20)13(18)14(2)7-3-4-12(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)