7-nitro-2-octoxy-5-pent-4-enyl-3,1-benzoxazin-4-one

Systemtic Name: 7-nitro-2-octoxy-5-pent-4-enyl-3,1-benzoxazin-4-one Openeye Name: 7-nitro-2-octoxy-5-pent-4-enyl-3,1-benzoxazin-4-one CAS Name: 7-nitro-2-octoxy-5-pent-4-enyl-3,1-benzoxazin-4-one IUPAC Name: 7-nitro-2-octoxy-5-pent-4-enyl-3,1-benzoxazin-4-one Traditional Name: 7-nitro-2-octoxy-5-pent-4-enyl-3,1-benzoxazin-4-one Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])CCCC=C)C(=O)O1

Isomeric SMILES

CCCCCCCCOC1=NC2=C(C(=CC(=C2)[N+](=O)[O-])CCCC=C)C(=O)O1

InChI

InChI=1S/C21H28N2O5/c1-3-5-7-8-9-11-13-27-21-22-18-15-17(23(25)26)14-16(12-10-6-4-2)19(18)20(24)28-21/h4,14-15H,2-3,5-13H2,1H3