[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C18H17N3O8/c1-27-14-8-12(13(21(25)26)9-15(14)28-2)18(24)29-10-16(22)19-20-17(23)11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)