methyl 9-(4-nitronaphthalen-1-yl)imino-10-oxa-8-azaspiro[5.5]undecane-8-carbodithioate

Systemtic Name: methyl 9-(4-nitronaphthalen-1-yl)imino-10-oxa-8-azaspiro[5.5]undecane-8-carbodithioate Openeye Name: methyl 9-[(4-nitro-1-naphthyl)imino]-10-oxa-8-azaspiro[5.5]undecane-8-carbodithioate CAS Name: 9-[(4-nitro-1-naphthalenyl)imino]-10-oxa-8-azaspiro[5.5]undecane-8-carbodithioic acid methyl ester IUPAC Name: methyl 9-(4-nitronaphthalen-1-yl)imino-10-oxa-8-azaspiro[5.5]undecane-8-carbodithioate Traditional Name: 9-[(4-nitro-1-naphthyl)imino]-10-oxa-8-azaspiro[5.5]undecane-8-carbodithioic acid methyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)N1CC2(CCCCC2)COC1=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CSC(=S)N1CC2(CCCCC2)COC1=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O3S2/c1-29-20(28)23-13-21(11-5-2-6-12-21)14-27-19(23)22-17-9-10-18(24(25)26)16-8-4-3-7-15(16)17/h3-4,7-10H,2,5-6,11-14H2,1H3