(3,4,5-trimethoxyphenyl)methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: (3,4,5-trimethoxyphenyl)methyl 4-chloranyl-3-nitro-benzoate Openeye Name: (3,4,5-trimethoxyphenyl)methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (3,4,5-trimethoxyphenyl)methyl ester IUPAC Name: (3,4,5-trimethoxyphenyl)methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (3,4,5-trimethoxybenzyl) ester Formula: C17H16ClNO7 MolecularWeight: 381.76444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)COC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClNO7/c1-23-14-6-10(7-15(24-2)16(14)25-3)9-26-17(20)11-4-5-12(18)13(8-11)19(21)22/h4-8H,9H2,1-3H3