3-methyl-4-(4-morpholin-4-yl-3-nitro-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 3-methyl-4-(4-morpholin-4-yl-3-nitro-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-methyl-4-(4-morpholino-3-nitro-phenyl)-4-oxo-butanoic acid CAS Name: 3-methyl-4-[4-(4-morpholinyl)-3-nitrophenyl]-4-oxobutanoic acid IUPAC Name: 3-methyl-4-(4-morpholin-4-yl-3-nitrophenyl)-4-oxobutanoic acid Traditional Name: 4-keto-3-methyl-4-(4-morpholino-3-nitro-phenyl)butyric acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=O)O)C(=O)C1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-10(8-14(18)19)15(20)11-2-3-12(13(9-11)17(21)22)16-4-6-23-7-5-16/h2-3,9-10H,4-8H2,1H3,(H,18,19)