2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-(1-cyanocyclohexyl)-N-methyl-ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-(1-cyanocyclohexyl)-N-methyl-acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)-N-methylacetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)-N-methylacetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-(1-cyanocyclohexyl)-N-methyl-acetamide Formula: C18H23ClN4O3 MolecularWeight: 378.85322

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C18H23ClN4O3/c1-21(11-14-10-15(23(25)26)6-7-16(14)19)12-17(24)22(2)18(13-20)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11-12H2,1-2H3