(2-methoxy-5-methyl-phenyl)methyl 2-methyl-3-nitro-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 2-methyl-3-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO5/c1-11-7-8-16(22-3)13(9-11)10-23-17(19)14-5-4-6-15(12(14)2)18(20)21/h4-9H,10H2,1-3H3