[4-[[2,5-bis(chloranyl)phenyl]carbamoyl]phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[[2,5-bis(chloranyl)phenyl]carbamoyl]phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[(2,5-dichlorophenyl)carbamoyl]phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[(2,5-dichloroanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dichlorophenyl)carbamoyl]phenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[(2,5-dichlorophenyl)carbamoyl]phenyl] ester Formula: C21H14Cl2N2O5 MolecularWeight: 445.25226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14Cl2N2O5/c1-12-2-3-14(10-19(12)25(28)29)21(27)30-16-7-4-13(5-8-16)20(26)24-18-11-15(22)6-9-17(18)23/h2-11H,1H3,(H,24,26)