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

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(3-nitrophenoxy)ethanoyl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(3-nitrophenoxy)acetyl]pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[2-(3-nitrophenoxy)-1-oxoethyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(3-nitrophenoxy)acetyl]pyrrol-1-yl]butanoate Traditional Name: 4-[2,5-dimethyl-3-[2-(3-nitrophenoxy)acetyl]pyrrol-1-yl]butyric acid methyl ester Formula: C19H22N2O6 MolecularWeight: 374.38778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6/c1-13-10-17(14(2)20(13)9-5-8-19(23)26-3)18(22)12-27-16-7-4-6-15(11-16)21(24)25/h4,6-7,10-11H,5,8-9,12H2,1-3H3