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

Systemtic Name: [4-[(4-methylphenyl)carbamoyl]phenyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [4-(p-tolylcarbamoyl)phenyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [4-[(4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-methylphenyl)carbamoyl]phenyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [4-(p-tolylcarbamoyl)phenyl] ester Formula: C21H15ClN2O5 MolecularWeight: 410.8072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15ClN2O5/c1-13-2-6-15(7-3-13)23-20(25)14-4-9-17(10-5-14)29-21(26)18-11-8-16(24(27)28)12-19(18)22/h2-12H,1H3,(H,23,25)