9-(2-methylpropyl)-N-(4-nitro-2-propan-2-yl-phenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine

Systemtic Name: 9-(2-methylpropyl)-N-(4-nitro-2-propan-2-yl-phenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Openeye Name: 9-isobutyl-N-(2-isopropyl-4-nitro-phenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine CAS Name: 9-(2-methylpropyl)-N-(4-nitro-2-propan-2-ylphenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine IUPAC Name: 9-(2-methylpropyl)-N-(4-nitro-2-propan-2-ylphenyl)-7-thia-9-azaspiro[4.4]nonan-8-imine Traditional Name: (9-isobutyl-7-thia-9-azaspiro[4.4]nonan-8-ylidene)-(2-isopropyl-4-nitro-phenyl)amine Formula: C20H29N3O2S MolecularWeight: 375.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(C)C)SCC13CCCC3

Isomeric SMILES

CC(C)CN1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(C)C)SCC13CCCC3

InChI

InChI=1S/C20H29N3O2S/c1-14(2)12-22-19(26-13-20(22)9-5-6-10-20)21-18-8-7-16(23(24)25)11-17(18)15(3)4/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3