1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)propan-2-one

Systemtic Name: 1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)propan-2-one Openeye Name: 1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)propan-2-one CAS Name: 1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)-2-propanone IUPAC Name: 1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)propan-2-one Traditional Name: 1-(2,2-dimethyl-6-nitro-3H-1,4-benzoxazin-4-yl)acetone Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C

Isomeric SMILES

CC(=O)CN1CC(OC2=C1C=C(C=C2)[N+](=O)[O-])(C)C

InChI

InChI=1S/C13H16N2O4/c1-9(16)7-14-8-13(2,3)19-12-5-4-10(15(17)18)6-11(12)14/h4-6H,7-8H2,1-3H3