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

Systemtic Name: (2,5-dimethoxyphenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2,5-dimethoxybenzyl) ester Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=C(C=CC(=C2)OC)OC)[N+](=O)[O-]

InChI

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