[1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14Cl2N2O5 MolecularWeight: 397.20946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14Cl2N2O5/c1-9-7-11(3-6-15(9)21(24)25)17(23)26-10(2)16(22)20-14-5-4-12(18)8-13(14)19/h3-8,10H,1-2H3,(H,20,22)