[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic 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:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O7/c25-20(22-14-4-7-18-19(10-14)31-13-30-18)12-29-21(26)16-11-15(24(27)28)5-6-17(16)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12-13H2,(H,22,25)