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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C13H10BrN3O6S MolecularWeight: 416.204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10BrN3O6S/c14-8-2-1-3-9(4-8)22-7-12(19)23-6-10(18)16-13-15-5-11(24-13)17(20)21/h1-5H,6-7H2,(H,15,16,18)