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

Systemtic Name: (phenylmethyl) 3-methyl-4-nitro-benzoate Openeye Name: benzyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid benzyl ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO4/c1-11-9-13(7-8-14(11)16(18)19)15(17)20-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3