6-nitro-3-(2-oxidanylidenepropyl)-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-(2-oxidanylidenepropyl)-1,3-benzoxazol-2-one Openeye Name: 3-acetonyl-6-nitro-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-(2-oxopropyl)-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-(2-oxopropyl)-1,3-benzoxazol-2-one Traditional Name: 3-acetonyl-6-nitro-1,3-benzoxazol-2-one Formula: C10H8N2O5 MolecularWeight: 236.18092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C10H8N2O5/c1-6(13)5-11-8-3-2-7(12(15)16)4-9(8)17-10(11)14/h2-4H,5H2,1H3