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

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(2-nitropyridin-3-yl)oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(2-nitro-3-pyridyl)oxy]acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-[(2-nitro-3-pyridinyl)oxy]-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(2-nitropyridin-3-yl)oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(2-nitro-3-pyridyl)oxy]acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C21H19N3O6 MolecularWeight: 409.39206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6/c1-13-11-17(18(25)12-30-19-5-4-10-22-20(19)24(27)28)14(2)23(13)16-8-6-15(7-9-16)21(26)29-3/h4-11H,12H2,1-3H3