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

Systemtic Name: methyl 4-[3-[2-(2-chloranyl-4-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]butanoate Openeye Name: methyl 4-[3-[2-(2-chloro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]butanoate CAS Name: 4-[3-[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(2-chloro-4-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-(2-chloro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O6/c1-12-9-15(13(2)21(12)8-4-5-19(24)27-3)17(23)11-28-18-7-6-14(22(25)26)10-16(18)20/h6-7,9-10H,4-5,8,11H2,1-3H3