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

Systemtic Name: [1-[(2,4-dichlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(2,4-dichloroanilino)-1-methyl-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(2,4-dichloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19Cl2N3O6 MolecularWeight: 468.28736

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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)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H19Cl2N3O6/c1-12(19(26)23-16-4-3-14(21)11-15(16)22)31-20(27)13-2-5-17(18(10-13)25(28)29)24-6-8-30-9-7-24/h2-5,10-12H,6-9H2,1H3,(H,23,26)