[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C17H16N4O6 MolecularWeight: 372.33214

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6/c1-18-13-8-7-12(9-14(13)21(25)26)17(24)27-10-15(22)19-20-16(23)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,19,22)(H,20,23)