dimethyl 3,6-bis(2-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl 3,6-bis(2-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl 3,6-bis(2-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylate CAS Name: 3,6-bis(2-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3,6-bis(2-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylate Traditional Name: 3,6-bis(2-nitrophenyl)cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C22H20N2O8 MolecularWeight: 440.4028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C=CC(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1C(C=CC(C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O8/c1-31-21(25)19-15(13-7-3-5-9-17(13)23(27)28)11-12-16(20(19)22(26)32-2)14-8-4-6-10-18(14)24(29)30/h3-12,15-16,19-20H,1-2H3