(4-ethylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-ethylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-ethylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-ethylphenyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H15NO4/c1-3-12-4-7-14(8-5-12)21-16(18)13-6-9-15(17(19)20)11(2)10-13/h4-10H,3H2,1-2H3