[2-(benzamidomethyl)-3,4,6-tris(chloranyl)phenyl] 4-nitrobenzoate

Systemtic Name: [2-(benzamidomethyl)-3,4,6-tris(chloranyl)phenyl] 4-nitrobenzoate Openeye Name: [2-(benzamidomethyl)-3,4,6-trichloro-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(benzamidomethyl)-3,4,6-trichlorophenyl] ester IUPAC Name: [2-(benzamidomethyl)-3,4,6-trichlorophenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(benzamidomethyl)-3,4,6-trichloro-phenyl] ester Formula: C21H13Cl3N2O5 MolecularWeight: 479.69732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCC2=C(C(=CC(=C2Cl)Cl)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCC2=C(C(=CC(=C2Cl)Cl)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H13Cl3N2O5/c22-16-10-17(23)19(31-21(28)13-6-8-14(9-7-13)26(29)30)15(18(16)24)11-25-20(27)12-4-2-1-3-5-12/h1-10H,11H2,(H,25,27)