(1-oxidanylidene-1-phenyl-propan-2-yl) 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-14(19(23)15-5-3-2-4-6-15)28-20(24)16-7-8-17(18(13-16)22(25)26)21-9-11-27-12-10-21/h2-8,13-14H,9-12H2,1H3