[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-(brosylamino)-3-methyl-butyric acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C19H19BrClN3O7S MolecularWeight: 548.79206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H19BrClN3O7S/c1-11(2)18(23-32(29,30)14-6-3-12(20)4-7-14)19(26)31-10-17(25)22-13-5-8-15(21)16(9-13)24(27)28/h3-9,11,18,23H,10H2,1-2H3,(H,22,25)