1,3-dinitrooxypropan-2-yl 4-(1-benzothiophen-2-yl)piperidine-1-carboxylate

Systemtic Name: 1,3-dinitrooxypropan-2-yl 4-(1-benzothiophen-2-yl)piperidine-1-carboxylate Openeye Name: [2-nitrooxy-1-(nitrooxymethyl)ethyl] 4-(benzothiophen-2-yl)piperidine-1-carboxylate CAS Name: 4-(1-benzothiophen-2-yl)-1-piperidinecarboxylic acid 1,3-dinitrooxypropan-2-yl ester IUPAC Name: 1,3-dinitrooxypropan-2-yl 4-(1-benzothiophen-2-yl)piperidine-1-carboxylate Traditional Name: 4-(benzothiophen-2-yl)piperidine-1-carboxylic acid [2-nitrooxy-1-(nitrooxymethyl)ethyl] ester Formula: C17H19N3O8S MolecularWeight: 425.41306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC3=CC=CC=C3S2)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O8S/c21-17(28-14(10-26-19(22)23)11-27-20(24)25)18-7-5-12(6-8-18)16-9-13-3-1-2-4-15(13)29-16/h1-4,9,12,14H,5-8,10-11H2