[2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: [2-[2-(4-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 5-bromanyl-2-oxidanyl-benzoate Openeye Name: [2-[2-(4-nitrobenzoyl)hydrazino]-2-oxo-ethyl] 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid [2-[[(4-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid [2-keto-2-[N'-(4-nitrobenzoyl)hydrazino]ethyl] ester Formula: C16H12BrN3O7 MolecularWeight: 438.18638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O7/c17-10-3-6-13(21)12(7-10)16(24)27-8-14(22)18-19-15(23)9-1-4-11(5-2-9)20(25)26/h1-7,21H,8H2,(H,18,22)(H,19,23)