cyanomethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: cyanomethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid cyanomethyl ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c14-3-6-21-13(17)10-1-2-11(12(9-10)16(18)19)15-4-7-20-8-5-15/h1-2,9H,4-8H2