[2-methyl-4-(4-methylphenyl)phenyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-methyl-4-(4-methylphenyl)phenyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-methyl-4-(p-tolyl)phenyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-methyl-4-(4-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(4-methylphenyl)phenyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-methyl-4-(p-tolyl)phenyl] ester Formula: C21H16ClNO4 MolecularWeight: 381.80904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClNO4/c1-13-3-5-15(6-4-13)16-7-10-20(14(2)11-16)27-21(24)18-12-17(23(25)26)8-9-19(18)22/h3-12H,1-2H3