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

Systemtic Name: methyl 3-[3-[2-(2-chloranyl-4-nitro-phenoxy)ethanoyl]-2,5-dimethyl-pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(2-chloro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[3-[2-(2-chloro-4-nitrophenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(2-chloro-4-nitrophenoxy)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(2-chloro-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C18H19ClN2O6 MolecularWeight: 394.80626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN2O6/c1-11-8-14(12(2)20(11)7-6-18(23)26-3)16(22)10-27-17-5-4-13(21(24)25)9-15(17)19/h4-5,8-9H,6-7,10H2,1-3H3