(3,4-dimethoxyphenyl)methyl 2-chloranyl-5-nitro-benzoate

Systemtic Name: (3,4-dimethoxyphenyl)methyl 2-chloranyl-5-nitro-benzoate Openeye Name: (3,4-dimethoxyphenyl)methyl 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)methyl 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid veratryl ester Formula: C16H14ClNO6 MolecularWeight: 351.73846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C16H14ClNO6/c1-22-14-6-3-10(7-15(14)23-2)9-24-16(19)12-8-11(18(20)21)4-5-13(12)17/h3-8H,9H2,1-2H3