2-butyl-9-methoxy-7-nitro-5-oxidanyl-5H-1,4-benzodioxepin-3-one

Systemtic Name: 2-butyl-9-methoxy-7-nitro-5-oxidanyl-5H-1,4-benzodioxepin-3-one Openeye Name: 2-butyl-5-hydroxy-9-methoxy-7-nitro-5H-1,4-benzodioxepin-3-one CAS Name: 2-butyl-5-hydroxy-9-methoxy-7-nitro-5H-1,4-benzodioxepin-3-one IUPAC Name: 2-butyl-5-hydroxy-9-methoxy-7-nitro-5H-1,4-benzodioxepin-3-one Traditional Name: 2-butyl-5-hydroxy-9-methoxy-7-nitro-5H-1,4-benzodioxepin-3-one Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)OC(C2=CC(=CC(=C2O1)OC)[N+](=O)[O-])O

Isomeric SMILES

CCCCC1C(=O)OC(C2=CC(=CC(=C2O1)OC)[N+](=O)[O-])O

InChI

InChI=1S/C14H17NO7/c1-3-4-5-10-14(17)22-13(16)9-6-8(15(18)19)7-11(20-2)12(9)21-10/h6-7,10,13,16H,3-5H2,1-2H3