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

Systemtic Name: (4-methyl-3-nitro-phenyl) benzoate Openeye Name: (4-methyl-3-nitro-phenyl) benzoate CAS Name: benzoic acid (4-methyl-3-nitrophenyl) ester IUPAC Name: (4-methyl-3-nitrophenyl) benzoate Traditional Name: benzoic acid (4-methyl-3-nitro-phenyl) ester Formula: C14H11NO4 MolecularWeight: 257.24144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11NO4/c1-10-7-8-12(9-13(10)15(17)18)19-14(16)11-5-3-2-4-6-11/h2-9H,1H3