8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylic acid

Systemtic Name: 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylic acid Openeye Name: 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylic acid CAS Name: 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylic acid IUPAC Name: 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylic acid Traditional Name: 8-nitro-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazine-3-carboxylic acid Formula: C12H13N3O5 MolecularWeight: 279.24872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(CN1C(=O)O)COC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN2C(CN1C(=O)O)COC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c16-12(17)13-3-4-14-9(6-13)7-20-11-5-8(15(18)19)1-2-10(11)14/h1-2,5,9H,3-4,6-7H2,(H,16,17)