[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-3,5-bis(bromanyl)benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-azanyl-3,5-bis(bromanyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 4-amino-3,5-dibromo-benzoate CAS Name: 4-amino-3,5-dibromobenzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 4-amino-3,5-dibromobenzoate Traditional Name: 4-amino-3,5-dibromo-benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C16H12Br2N2O5 MolecularWeight: 472.08488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)N)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)N)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H12Br2N2O5/c1-8-2-3-9(6-13(8)20(23)24)14(21)7-25-16(22)10-4-11(17)15(19)12(18)5-10/h2-6H,7,19H2,1H3