[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3,5-bis(bromanyl)-2-oxidanyl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3,5-dibromo-2-hydroxy-benzoate CAS Name: 3,5-dibromo-2-hydroxybenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3,5-dibromo-2-hydroxybenzoate Traditional Name: 3,5-dibromo-2-hydroxy-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H7Br2N3O6S MolecularWeight: 481.07348

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)O)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])Br

Isomeric SMILES

C1=C(C=C(C(=C1Br)O)C(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])Br

InChI

InChI=1S/C12H7Br2N3O6S/c13-5-1-6(10(19)7(14)2-5)11(20)23-4-8(18)16-12-15-3-9(24-12)17(21)22/h1-3,19H,4H2,(H,15,16,18)