[1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C16H11Cl3N2O5 MolecularWeight: 417.62794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11Cl3N2O5/c1-8(15(22)20-13-5-3-9(17)6-12(13)19)26-16(23)11-4-2-10(18)7-14(11)21(24)25/h2-8H,1H3,(H,20,22)