(3,5-dimethylphenyl)methyl 4-methoxy-3-nitro-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (3,5-dimethylbenzyl) ester Formula: C17H17NO5 MolecularWeight: 315.32058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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