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

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-methylbenzoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-methyl-benzoic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H12Br2N2O6 MolecularWeight: 488.08428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Br2N2O6/c1-8-2-3-9(4-13(8)21)16(23)26-7-14(22)19-15-11(17)5-10(20(24)25)6-12(15)18/h2-6,21H,7H2,1H3,(H,19,22)