pyridin-3-ylmethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: pyridin-3-ylmethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 3-pyridylmethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 3-pyridylmethyl ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c21-17(25-12-13-2-1-5-18-11-13)14-3-4-15(16(10-14)20(22)23)19-6-8-24-9-7-19/h1-5,10-11H,6-9,12H2