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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-bromanylbenzoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C12H8BrN3O5S MolecularWeight: 386.17802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrN3O5S/c13-8-3-1-2-7(4-8)11(18)21-6-9(17)15-12-14-5-10(22-12)16(19)20/h1-5H,6H2,(H,14,15,17)