methyl 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(2-nitrophenoxy)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-12-18(20(25)13-30-21-7-5-4-6-19(21)24(27)28)15(2)23(14)17-10-8-16(9-11-17)22(26)29-3/h4-12H,13H2,1-3H3