[4-(1,3-dithiolan-2-yl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O4S2/c24-20(27-17-7-4-15(5-8-17)21-28-12-13-29-21)16-6-9-18(19(14-16)23(25)26)22-10-2-1-3-11-22/h4-9,14,21H,1-3,10-13H2