Molecule ID: 12535373

IUPAC Name: 1-methyl-7-nitro-3,1-benzoxazine-2,4-dione

Description: The molecule is a 3,1-benzoxazin-1,4-dione having an N-methyl substituent and a nitro group at the 7-position. It is a benzoxazine and a C-nitro compound.

SMILES: Cn1c(=O)oc(=O)c2ccc([N+](=O)[O-])cc21

SELFIES: [C][N][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][#C]

InChI: InChI=1S/C9H6N2O5/c1-10-7-4-5(11(14)15)2-3-6(7)8(12)16-9(10)13/h2-4H,1H3

Molecular Properties:
- Polar Surface Area: 92.4 Ų
- LogP: 1.0