[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H18BrN3O8S MolecularWeight: 528.33052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H18BrN3O8S/c20-16-6-1-13(11-17(16)32(28,29)22-7-9-30-10-8-22)19(25)31-12-18(24)21-14-2-4-15(5-3-14)23(26)27/h1-6,11H,7-10,12H2,(H,21,24)