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

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H14Cl2N2O6 MolecularWeight: 413.20886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2N2O6/c1-9(16(22)20-13-5-4-11(18)8-12(13)19)27-17(23)10-3-6-15(26-2)14(7-10)21(24)25/h3-9H,1-2H3,(H,20,22)