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

Systemtic Name: methyl 2-[(4-bromanyl-3-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-bromo-3-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-bromo-3-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-bromo-3-nitro-benzoyl)amino]-3-methyl-butyric acid methyl ester Formula: C13H15BrN2O5 MolecularWeight: 359.1726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O5/c1-7(2)11(13(18)21-3)15-12(17)8-4-5-9(14)10(6-8)16(19)20/h4-7,11H,1-3H3,(H,15,17)