(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C17H16ClNO5/c1-8-14(10(3)20)9(2)19-15(8)17(21)22-6-11-4-12(18)16-13(5-11)23-7-24-16/h4-5,19H,6-7H2,1-3H3