[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethyl] ester Formula: C17H12N4O6S MolecularWeight: 400.36538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NNC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O6S/c22-15(19-20-16(23)10-1-4-12(5-2-10)21(25)26)8-27-17(24)11-3-6-13-14(7-11)28-9-18-13/h1-7,9H,8H2,(H,19,22)(H,20,23)