2-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-3,5-dinitro-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-bromo-3,5-dinitro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(4-bromo-3,5-dinitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-bromo-3,5-dinitrobenzoyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(4-bromo-3,5-dinitro-benzoyl)amino]-3-methyl-butyric acid Formula: C12H12BrN3O7 MolecularWeight: 390.14358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O7/c1-5(2)10(12(18)19)14-11(17)6-3-7(15(20)21)9(13)8(4-6)16(22)23/h3-5,10H,1-2H3,(H,14,17)(H,18,19)