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

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H14Br2N2O7S MolecularWeight: 550.17526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Br2N2O7S/c1-9-5-11(18)16(12(19)6-9)20-15(22)8-28-17(23)10-3-4-14(29(2,26)27)13(7-10)21(24)25/h3-7H,8H2,1-2H3,(H,20,22)