2-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(3-methyl-4-nitro-phenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 3-hydroxy-2-[(3-methyl-4-nitro-benzoyl)amino]butanoic acid CAS Name: 3-hydroxy-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(3-methyl-4-nitrobenzoyl)amino]butanoic acid Traditional Name: 3-hydroxy-2-[(3-methyl-4-nitro-benzoyl)amino]butyric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-6-5-8(3-4-9(6)14(19)20)11(16)13-10(7(2)15)12(17)18/h3-5,7,10,15H,1-2H3,(H,13,16)(H,17,18)