(2-methoxy-5-nitro-phenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid (2-methoxy-5-nitro-benzyl) ester Formula: C16H12ClNO7 MolecularWeight: 365.72198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H12ClNO7/c1-22-13-3-2-11(18(20)21)4-10(13)7-23-16(19)9-5-12(17)15-14(6-9)24-8-25-15/h2-6H,7-8H2,1H3