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

Systemtic Name: (2,5-dimethylphenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2,5-dimethylbenzyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-11-4-5-12(2)15(8-11)10-22-17(19)14-6-7-16(18(20)21)13(3)9-14/h4-9H,10H2,1-3H3