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

Systemtic Name: 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-bromo-3-nitrobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-3-methyl-butyric acid Formula: C12H13BrN2O5 MolecularWeight: 345.14602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN2O5/c1-6(2)10(12(17)18)14-11(16)7-3-4-8(13)9(5-7)15(19)20/h3-6,10H,1-2H3,(H,14,16)(H,17,18)