[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H30N2O6/c1-4-21(2,3)15-9-11-16(12-10-15)22-19(24)13-29-20(25)14-28-18-8-6-5-7-17(18)23(26)27/h5-8,15-16H,4,9-14H2,1-3H3,(H,22,24)