N-methyl-3-(4-nitrophenyl)-3-oxidanylidene-propan-1-imine oxide

Systemtic Name: N-methyl-3-(4-nitrophenyl)-3-oxidanylidene-propan-1-imine oxide Openeye Name: N-methyl-3-(4-nitrophenyl)-3-oxo-propan-1-imine oxide CAS Name: N-methyl-3-(4-nitrophenyl)-3-oxo-1-propanimine oxide IUPAC Name: N-methyl-3-(4-nitrophenyl)-3-oxopropan-1-imine oxide Traditional Name: 3-keto-N-methyl-3-(4-nitrophenyl)propan-1-imine oxide Formula: C10H10N2O4 MolecularWeight: 222.1974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O4/c1-11(14)7-6-10(13)8-2-4-9(5-3-8)12(15)16/h2-5,7H,6H2,1H3/b11-7+