[2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [2-[2,5-bis(chloranyl)phenyl]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-(2,5-dichlorophenyl)-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-(2,5-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dichlorophenyl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-(2,5-dichlorophenyl)-2-keto-ethyl] ester Formula: C19H16Cl2N2O6 MolecularWeight: 439.24614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC(=O)C3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16Cl2N2O6/c20-13-2-3-15(21)14(10-13)18(24)11-29-19(25)12-1-4-16(17(9-12)23(26)27)22-5-7-28-8-6-22/h1-4,9-10H,5-8,11H2