2,2-dimethyl-6-nitro-4-(2-oxidanylidenepropyl)-1,4-benzoxazin-3-one

Systemtic Name: 2,2-dimethyl-6-nitro-4-(2-oxidanylidenepropyl)-1,4-benzoxazin-3-one Openeye Name: 4-acetonyl-2,2-dimethyl-6-nitro-1,4-benzoxazin-3-one CAS Name: 2,2-dimethyl-6-nitro-4-(2-oxopropyl)-1,4-benzoxazin-3-one IUPAC Name: 2,2-dimethyl-6-nitro-4-(2-oxopropyl)-1,4-benzoxazin-3-one Traditional Name: 4-acetonyl-2,2-dimethyl-6-nitro-1,4-benzoxazin-3-one Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)(C)C

Isomeric SMILES

CC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC(C1=O)(C)C

InChI

InChI=1S/C13H14N2O5/c1-8(16)7-14-10-6-9(15(18)19)4-5-11(10)20-13(2,3)12(14)17/h4-6H,7H2,1-3H3