methyl 4-[2,5-dimethyl-3-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(6-methyl-2-nitro-pyridin-3-yl)oxyethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-2-nitro-3-pyridinyl)oxy]-1-oxoethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(6-methyl-2-nitropyridin-3-yl)oxyacetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(6-methyl-2-nitro-3-pyridyl)oxy]acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)OCC(=O)C2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6/c1-13-5-10-20(21(23-13)25(28)29)31-12-19(26)18-11-14(2)24(15(18)3)17-8-6-16(7-9-17)22(27)30-4/h5-11H,12H2,1-4H3