[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C16H10BrN3O5S MolecularWeight: 436.2367

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)SC=N2

InChI

InChI=1S/C16H10BrN3O5S/c17-11-6-10(20(23)24)2-4-12(11)19-15(21)7-25-16(22)9-1-3-13-14(5-9)26-8-18-13/h1-6,8H,7H2,(H,19,21)