(4-cyanophenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (4-cyanophenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (4-cyanobenzyl) ester Formula: C16H10ClNO4 MolecularWeight: 315.7079

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(=O)OCC3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C16H10ClNO4/c17-13-5-12(6-14-15(13)22-9-21-14)16(19)20-8-11-3-1-10(7-18)2-4-11/h1-6H,8-9H2