[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate CAS Name: 1-(2-nitrophenyl)-4-piperidinecarboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 1-(2-nitrophenyl)piperidine-4-carboxylate Traditional Name: 1-(2-nitrophenyl)isonipecotic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O7/c25-20(22-15-5-6-18-19(11-15)31-13-30-18)12-29-21(26)14-7-9-23(10-8-14)16-3-1-2-4-17(16)24(27)28/h1-6,11,14H,7-10,12-13H2,(H,22,25)