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

Systemtic Name: methyl 3-[2,5-dimethyl-3-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoyl]pyrrol-1-yl]propanoate Openeye Name: methyl 3-[3-[2-(2-allyl-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]propanoate CAS Name: 3-[2,5-dimethyl-3-[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]-1-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2,5-dimethyl-3-[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]pyrrol-1-yl]propanoate Traditional Name: 3-[3-[2-(2-allyl-4-nitro-phenoxy)acetyl]-2,5-dimethyl-pyrrol-1-yl]propionic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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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-])CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6/c1-5-6-16-12-17(23(26)27)7-8-20(16)29-13-19(24)18-11-14(2)22(15(18)3)10-9-21(25)28-4/h5,7-8,11-12H,1,6,9-10,13H2,2-4H3