[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methyl-5-nitro-benzoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3-bromanyl-4-methyl-5-nitro-benzoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3-bromo-4-methyl-5-nitro-benzoate CAS Name: 3-bromo-4-methyl-5-nitrobenzoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3-bromo-4-methyl-5-nitrobenzoate Traditional Name: 3-bromo-4-methyl-5-nitro-benzoic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C16H11BrN2O7 MolecularWeight: 423.17174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11BrN2O7/c1-9-13(17)6-11(7-14(9)19(24)25)16(21)26-8-15(20)10-3-2-4-12(5-10)18(22)23/h2-7H,8H2,1H3