(5-nitrospiro[1,3-benzodithiole-2,4'-piperidine]-1'-yl)-phenyl-methanone

Systemtic Name: (5-nitrospiro[1,3-benzodithiole-2,4'-piperidine]-1'-yl)-phenyl-methanone Openeye Name: (5-nitrospiro[1,3-benzodithiole-2,4'-piperidine]-1'-yl)-phenyl-methanone CAS Name: (5-nitro-1'-spiro[1,3-benzodithiole-2,4'-piperidine]yl)-phenylmethanone IUPAC Name: (5-nitrospiro[1,3-benzodithiole-2,4'-piperidine]-1'-yl)-phenylmethanone Traditional Name: (5-nitrospiro[1,3-benzodithiole-2,4'-piperidine]-1'-yl)-phenyl-methanone Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12SC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC12SC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4

InChI

InChI=1S/C18H16N2O3S2/c21-17(13-4-2-1-3-5-13)19-10-8-18(9-11-19)24-15-7-6-14(20(22)23)12-16(15)25-18/h1-7,12H,8-11H2