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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-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] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H8BrN3O6S MolecularWeight: 402.17742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrN3O6S/c13-6-1-2-8(17)7(3-6)11(19)22-5-9(18)15-12-14-4-10(23-12)16(20)21/h1-4,17H,5H2,(H,14,15,18)