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

Systemtic Name: (4-phenylphenyl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (4-phenylphenyl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-phenylbenzyl) ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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