[(1S,5S)-3-methoxycarbonyl-5-(4-nitrophenyl)carbonyloxy-cyclohex-3-en-1-yl] 4-nitrobenzoate

Systemtic Name: [(1S,5S)-3-methoxycarbonyl-5-(4-nitrophenyl)carbonyloxy-cyclohex-3-en-1-yl] 4-nitrobenzoate Openeye Name: [(1S,5S)-3-methoxycarbonyl-5-(4-nitrobenzoyl)oxy-cyclohex-3-en-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S,5S)-3-methoxycarbonyl-5-[(4-nitrophenyl)-oxomethoxy]-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,5S)-3-methoxycarbonyl-5-(4-nitrobenzoyl)oxycyclohex-3-en-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S,5S)-3-carbomethoxy-5-(4-nitrobenzoyl)oxy-cyclohex-3-en-1-yl] ester Formula: C22H18N2O10 MolecularWeight: 470.38572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C[C@H](C[C@H](C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O10/c1-32-20(25)15-10-18(33-21(26)13-2-6-16(7-3-13)23(28)29)12-19(11-15)34-22(27)14-4-8-17(9-5-14)24(30)31/h2-10,18-19H,11-12H2,1H3/t18-,19+/m1/s1