2-[3-(3-nitrophenyl)-3-oxidanylidene-propyl]piperidine-1-carbodithioic acid

Systemtic Name: 2-[3-(3-nitrophenyl)-3-oxidanylidene-propyl]piperidine-1-carbodithioic acid Openeye Name: 2-[3-(3-nitrophenyl)-3-oxo-propyl]piperidine-1-carbodithioic acid CAS Name: 2-[3-(3-nitrophenyl)-3-oxopropyl]-1-piperidinecarbodithioic acid IUPAC Name: 2-[3-(3-nitrophenyl)-3-oxopropyl]piperidine-1-carbodithioic acid Traditional Name: 2-[3-keto-3-(3-nitrophenyl)propyl]piperidine-1-carbodithioic acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)S

Isomeric SMILES

C1CCN(C(C1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)S

InChI

InChI=1S/C15H18N2O3S2/c18-14(11-4-3-6-13(10-11)17(19)20)8-7-12-5-1-2-9-16(12)15(21)22/h3-4,6,10,12H,1-2,5,7-9H2,(H,21,22)