(5-methyl-2-nitro-phenyl) 3,5-dimethylbenzoate

Systemtic Name: (5-methyl-2-nitro-phenyl) 3,5-dimethylbenzoate Openeye Name: (5-methyl-2-nitro-phenyl) 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid (5-methyl-2-nitrophenyl) ester IUPAC Name: (5-methyl-2-nitrophenyl) 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid (5-methyl-2-nitro-phenyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-10-4-5-14(17(19)20)15(9-10)21-16(18)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3