methyl 4-(1,3-benzodioxol-5-yl)-5-methanoyl-1,2-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-5-methanoyl-1,2-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-5-formyl-1,2-dimethyl-pyrrole-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-formyl-1,2-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-5-formyl-1,2-dimethylpyrrole-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-formyl-1,2-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1C)C=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C16H15NO5/c1-9-14(16(19)20-3)15(11(7-18)17(9)2)10-4-5-12-13(6-10)22-8-21-12/h4-7H,8H2,1-3H3