N-(4-nitro-2-propan-2-yl-phenyl)-7-thia-9-azaspiro[4.4]non-8-en-8-amine

Systemtic Name: N-(4-nitro-2-propan-2-yl-phenyl)-7-thia-9-azaspiro[4.4]non-8-en-8-amine Openeye Name: N-(2-isopropyl-4-nitro-phenyl)-7-thia-9-azaspiro[4.4]non-8-en-8-amine CAS Name: N-(4-nitro-2-propan-2-ylphenyl)-7-thia-9-azaspiro[4.4]non-8-en-8-amine IUPAC Name: N-(4-nitro-2-propan-2-ylphenyl)-7-thia-9-azaspiro[4.4]non-8-en-8-amine Traditional Name: (2-isopropyl-4-nitro-phenyl)-(7-thia-9-azaspiro[4.4]non-8-en-8-yl)amine Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC3(CCCC3)CS2

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=NC3(CCCC3)CS2

InChI

InChI=1S/C16H21N3O2S/c1-11(2)13-9-12(19(20)21)5-6-14(13)17-15-18-16(10-22-15)7-3-4-8-16/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,18)