[2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H11Br2N3O7 MolecularWeight: 517.08244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C16H11Br2N3O7/c1-8-4-9(2-3-13(8)21(26)27)16(23)28-7-14(22)19-15-11(17)5-10(20(24)25)6-12(15)18/h2-6H,7H2,1H3,(H,19,22)