[4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(2,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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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=CC(=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O5/c1-13-3-10-19(14(2)11-13)24-21(26)15-4-7-17(8-5-15)30-22(27)16-6-9-18(23)20(12-16)25(28)29/h3-12H,1-2H3,(H,24,26)