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

Systemtic Name: (2,5-dimethoxyphenyl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (2,5-dimethoxyphenyl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (2,5-dimethoxyphenyl)methyl ester IUPAC Name: (2,5-dimethoxyphenyl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OCC2=C(C=CC(=C2)OC)OC

Isomeric SMILES

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

InChI

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