3-(methoxymethyl)-4-(4-nitrophenyl)-4-oxidanyl-butan-2-one

Systemtic Name: 3-(methoxymethyl)-4-(4-nitrophenyl)-4-oxidanyl-butan-2-one Openeye Name: 4-hydroxy-3-(methoxymethyl)-4-(4-nitrophenyl)butan-2-one CAS Name: 4-hydroxy-3-(methoxymethyl)-4-(4-nitrophenyl)-2-butanone IUPAC Name: 4-hydroxy-3-(methoxymethyl)-4-(4-nitrophenyl)butan-2-one Traditional Name: 4-hydroxy-3-(methoxymethyl)-4-(4-nitrophenyl)butan-2-one Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-8(14)11(7-18-2)12(15)9-3-5-10(6-4-9)13(16)17/h3-6,11-12,15H,7H2,1-2H3