N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-nitrophenyl)pentanediamide

Systemtic Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-nitrophenyl)pentanediamide Openeye Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-nitrophenyl)pentanediamide CAS Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-nitrophenyl)pentanediamide IUPAC Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-nitrophenyl)pentanediamide Traditional Name: N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-N'-(4-nitrophenyl)glutaramide Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CCCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O4/c1-13-5-3-6-17(14(13)2)21-19(24)8-4-7-18(23)20-15-9-11-16(12-10-15)22(25)26/h9-14,17H,3-8H2,1-2H3,(H,20,23)(H,21,24)/t13-,14+,17+/m0/s1