methyl 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)ethanoyl]pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)ethanoyl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)acetyl]pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitrophenoxy)-1-oxoethyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitrophenoxy)acetyl]pyrrol-1-yl]butanoate Traditional Name: 4-[2,5-dimethyl-3-[2-(4-methyl-2-nitro-phenoxy)acetyl]pyrrol-1-yl]butyric acid methyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O6/c1-13-7-8-19(17(10-13)22(25)26)28-12-18(23)16-11-14(2)21(15(16)3)9-5-6-20(24)27-4/h7-8,10-11H,5-6,9,12H2,1-4H3