methyl 4-[2-[1,3-benzodioxol-5-ylcarbonyl(prop-2-enyl)amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[2-[1,3-benzodioxol-5-ylcarbonyl(prop-2-enyl)amino]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-[allyl(1,3-benzodioxole-5-carbonyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]-prop-2-enylamino]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[1,3-benzodioxole-5-carbonyl(prop-2-enyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[allyl(piperonyloyl)amino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)CN(CC=C)C(=O)C2=CC3=C(C=C2)OCO3)C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1C(=O)CN(CC=C)C(=O)C2=CC3=C(C=C2)OCO3)C)C(=O)OC

InChI

InChI=1S/C21H22N2O6/c1-5-8-23(20(25)14-6-7-16-17(9-14)29-11-28-16)10-15(24)18-12(2)19(21(26)27-4)22-13(18)3/h5-7,9,22H,1,8,10-11H2,2-4H3