(phenylmethyl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (phenylmethyl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: benzyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid benzyl ester Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c21-18(25-13-14-4-2-1-3-5-14)15-6-7-16(17(12-15)20(22)23)19-8-10-24-11-9-19/h1-7,12H,8-11,13H2