(2,5-dimethylphenyl)methyl 4-nitrobenzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 4-nitrobenzoate Openeye Name: (2,5-dimethylphenyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2,5-dimethylbenzyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-11-3-4-12(2)14(9-11)10-21-16(18)13-5-7-15(8-6-13)17(19)20/h3-9H,10H2,1-2H3