N-[3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[(4-tert-amylcyclohexyl)amino]-3-keto-propyl]-4-nitro-benzamide Formula: C21H31N3O4 MolecularWeight: 389.48854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O4/c1-4-21(2,3)16-7-9-17(10-8-16)23-19(25)13-14-22-20(26)15-5-11-18(12-6-15)24(27)28/h5-6,11-12,16-17H,4,7-10,13-14H2,1-3H3,(H,22,26)(H,23,25)