pyridin-2-ylmethyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: 2-pyridylmethyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid 2-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=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=N3)[N+](=O)[O-]

InChI

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