3-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid Openeye Name: 3-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid CAS Name: 3-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid IUPAC Name: 3-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid Traditional Name: 3-(3,5-dimethoxyphenyl)-5-(4-methoxyphenyl)-4-nitro-1H-pyrrole-2-carboxylic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=C(N2)C(=O)O)C3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=C(N2)C(=O)O)C3=CC(=CC(=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-27-13-6-4-11(5-7-13)17-19(22(25)26)16(18(21-17)20(23)24)12-8-14(28-2)10-15(9-12)29-3/h4-10,21H,1-3H3,(H,23,24)