[2-(phenylmethyl)phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-(phenylmethyl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: (2-benzylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-benzylphenyl) ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=CC=C2CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO4/c1-15-13-18(11-12-19(15)22(24)25)21(23)26-20-10-6-5-9-17(20)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3