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

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(2,6-dibromo-4-nitro-anilino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-nitroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(2,6-dibromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H19Br2N3O8S MolecularWeight: 621.25316

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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)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2Br)[N+](=O)[O-])Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H19Br2N3O8S/c1-12-2-3-13(8-17(12)34(30,31)24-4-6-32-7-5-24)20(27)33-11-18(26)23-19-15(21)9-14(25(28)29)10-16(19)22/h2-3,8-10H,4-7,11H2,1H3,(H,23,26)