[4-(butylamino)cyclohexyl] 4-nitrocyclohexane-1-carboxylate

Systemtic Name: [4-(butylamino)cyclohexyl] 4-nitrocyclohexane-1-carboxylate Openeye Name: [4-(butylamino)cyclohexyl] 4-nitrocyclohexanecarboxylate CAS Name: 4-nitro-1-cyclohexanecarboxylic acid [4-(butylamino)cyclohexyl] ester IUPAC Name: [4-(butylamino)cyclohexyl] 4-nitrocyclohexane-1-carboxylate Traditional Name: 4-nitrocyclohexanecarboxylic acid [4-(butylamino)cyclohexyl] ester Formula: C17H30N2O4 MolecularWeight: 326.4311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1CCC(CC1)OC(=O)C2CCC(CC2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1CCC(CC1)OC(=O)C2CCC(CC2)[N+](=O)[O-]

InChI

InChI=1S/C17H30N2O4/c1-2-3-12-18-14-6-10-16(11-7-14)23-17(20)13-4-8-15(9-5-13)19(21)22/h13-16,18H,2-12H2,1H3