4-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[4-(1,1-dimethylpropyl)cyclohexyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]-3-nitrobenzamide Traditional Name: N-(4-tert-amylcyclohexyl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N3O3/c1-4-21(2,3)15-6-8-17(9-7-15)23-20(25)14-5-12-18(22-16-10-11-16)19(13-14)24(26)27/h5,12-13,15-17,22H,4,6-11H2,1-3H3,(H,23,25)