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

Systemtic Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[(2,4-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[(2,4-dimethylphenyl)carbamoyl]phenyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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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)C)[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)C)[N+](=O)[O-])C

InChI

InChI=1S/C23H20N2O5/c1-14-4-11-20(16(3)12-14)24-22(26)17-7-9-19(10-8-17)30-23(27)18-6-5-15(2)21(13-18)25(28)29/h4-13H,1-3H3,(H,24,26)