[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C20H20N4O6 MolecularWeight: 412.396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6/c25-18(21-22-19(26)14-6-2-1-3-7-14)13-30-20(27)15-8-9-16(17(12-15)24(28)29)23-10-4-5-11-23/h1-3,6-9,12H,4-5,10-11,13H2,(H,21,25)(H,22,26)