(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-chloranyl-5-nitro-benzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-chloranyl-5-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C13H13ClN2O6 MolecularWeight: 328.70512

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H13ClN2O6/c14-11-2-1-9(16(19)20)7-10(11)13(18)22-8-12(17)15-3-5-21-6-4-15/h1-2,7H,3-6,8H2