(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C16H10ClNO4 MolecularWeight: 315.7079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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