ethyl 2,5-dimethyl-4-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(2-allyl-4-nitro-phenoxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-(2-allyl-4-nitro-phenoxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C)C)C

InChI

InChI=1S/C20H22N2O6/c1-5-7-14-10-15(22(25)26)8-9-17(14)28-11-16(23)18-12(3)21-13(4)19(18)20(24)27-6-2/h5,8-10,21H,1,6-7,11H2,2-4H3