(4,5-dimethoxy-2-methyl-phenyl)methyl 3-nitrobenzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-nitrobenzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H17NO6/c1-11-7-15(22-2)16(23-3)9-13(11)10-24-17(19)12-5-4-6-14(8-12)18(20)21/h4-9H,10H2,1-3H3