[(1R,5S)-5-methoxycarbonyl-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1R,5S)-5-methoxycarbonyl-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate Openeye Name: [(1R,5S)-5-methoxycarbonyl-2-methyl-cyclohex-2-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1R,5S)-5-methoxycarbonyl-2-methyl-1-cyclohex-2-enyl] ester IUPAC Name: [(1R,5S)-5-methoxycarbonyl-2-methylcyclohex-2-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,5S)-5-carbomethoxy-2-methyl-cyclohex-2-en-1-yl] ester Formula: C16H17NO6 MolecularWeight: 319.30928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC[C@@H](C[C@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17NO6/c1-10-3-4-12(15(18)22-2)9-14(10)23-16(19)11-5-7-13(8-6-11)17(20)21/h3,5-8,12,14H,4,9H2,1-2H3/t12-,14+/m0/s1