2-[(2-methoxy-5-nitro-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(2-methoxy-5-nitro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(2-methoxy-5-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(2-methoxy-5-nitrobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(2-methoxy-5-nitro-benzoyl)amino]-3-methyl-butyric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c1-7(2)11(13(17)18)14-12(16)9-6-8(15(19)20)4-5-10(9)21-3/h4-7,11H,1-3H3,(H,14,16)(H,17,18)