[1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[2-(phenylcarbonyl)hydrazinyl]propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(2-benzoylhydrazino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-(benzoylhydrazo)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-1-methyl-ethyl] ester Formula: C17H14ClN3O6 MolecularWeight: 391.76256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NNC(=O)C1=CC=CC=C1)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O6/c1-10(15(22)19-20-16(23)11-5-3-2-4-6-11)27-17(24)13-8-7-12(18)9-14(13)21(25)26/h2-10H,1H3,(H,19,22)(H,20,23)