methyl 3,5-bis(3,5-dimethoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3,5-bis(3,5-dimethoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylate Openeye Name: methyl 3,5-bis(3,5-dimethoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylate CAS Name: 3,5-bis(3,5-dimethoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3,5-bis(3,5-dimethoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylate Traditional Name: 3,5-bis(3,5-dimethoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=C(NC(=C2[N+](=O)[O-])C3=CC(=CC(=C3)OC)OC)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=C(NC(=C2[N+](=O)[O-])C3=CC(=CC(=C3)OC)OC)C(=O)OC)OC

InChI

InChI=1S/C22H22N2O8/c1-28-14-6-12(7-15(10-14)29-2)18-20(22(25)32-5)23-19(21(18)24(26)27)13-8-16(30-3)11-17(9-13)31-4/h6-11,23H,1-5H3