1-chloranylheptan-2-one; 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one

Systemtic Name: 1-chloranylheptan-2-one; 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Openeye Name: 1-chloroheptan-2-one; 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one CAS Name: 1-chloro-2-heptanone; 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one IUPAC Name: 1-chloroheptan-2-one; 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Traditional Name: 1-chloroheptan-2-one; 7-nitro-3-oxa-5-azabicyclo[4.2.2]deca-1(8),6,9-trien-4-one Formula: C15H19ClN2O5 MolecularWeight: 342.77476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCl.C1C2=CC(=C(C=C2)NC(=O)O1)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)CCl.C1C2=CC(=C(C=C2)NC(=O)O1)[N+](=O)[O-]

InChI

InChI=1S/C8H6N2O4.C7H13ClO/c11-8-9-6-2-1-5(4-14-8)3-7(6)10(12)13;1-2-3-4-5-7(9)6-8/h1-3H,4H2,(H,9,11);2-6H2,1H3