[(1R,2R,5S)-2-(7-methoxynaphthalen-2-yl)oxy-5-methyl-cyclohexyl] 3,5-dinitrobenzoate

Systemtic Name: [(1R,2R,5S)-2-(7-methoxynaphthalen-2-yl)oxy-5-methyl-cyclohexyl] 3,5-dinitrobenzoate Openeye Name: [(1R,2R,5S)-2-[(7-methoxy-2-naphthyl)oxy]-5-methyl-cyclohexyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [(1R,2R,5S)-2-[(7-methoxy-2-naphthalenyl)oxy]-5-methylcyclohexyl] ester IUPAC Name: [(1R,2R,5S)-2-(7-methoxynaphthalen-2-yl)oxy-5-methylcyclohexyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [(1R,2R,5S)-2-(7-methoxy-2-naphthoxy)-5-methyl-cyclohexyl] ester Formula: C25H24N2O8 MolecularWeight: 480.46666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC4=C(C=CC(=C4)OC)C=C3

Isomeric SMILES

C[C@H]1CC[C@H]([C@@H](C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=CC4=C(C=CC(=C4)OC)C=C3

InChI

InChI=1S/C25H24N2O8/c1-15-3-8-23(34-22-7-5-16-4-6-21(33-2)12-17(16)13-22)24(9-15)35-25(28)18-10-19(26(29)30)14-20(11-18)27(31)32/h4-7,10-15,23-24H,3,8-9H2,1-2H3/t15-,23+,24+/m0/s1