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

Systemtic Name: [4-chloranyl-2-(phenylmethyl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: (2-benzyl-4-chloro-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-chloro-2-(phenylmethyl)phenyl] ester IUPAC Name: (2-benzyl-4-chlorophenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-benzyl-4-chloro-phenyl) ester Formula: C21H16ClNO4 MolecularWeight: 381.80904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)Cl)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClNO4/c1-14-11-16(7-9-19(14)23(25)26)21(24)27-20-10-8-18(22)13-17(20)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3