4-(3-azanyl-2-oxidanyl-propyl)-6-nitro-1,4-benzoxazin-3-one

Systemtic Name: 4-(3-azanyl-2-oxidanyl-propyl)-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-(3-amino-2-hydroxy-propyl)-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-(3-amino-2-hydroxypropyl)-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-(3-amino-2-hydroxypropyl)-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-(3-amino-2-hydroxy-propyl)-6-nitro-1,4-benzoxazin-3-one Formula: C11H13N3O5 MolecularWeight: 267.23802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(CN)O

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(CN)O

InChI

InChI=1S/C11H13N3O5/c12-4-8(15)5-13-9-3-7(14(17)18)1-2-10(9)19-6-11(13)16/h1-3,8,15H,4-6,12H2