(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H16ClNO5 MolecularWeight: 349.76564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)C

InChI

InChI=1S/C17H16ClNO5/c1-10(20)11-5-15(19(2)6-11)17(21)23-8-13-4-14(18)3-12-7-22-9-24-16(12)13/h3-6H,7-9H2,1-2H3