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

Systemtic Name: 5-methyl-7-nitro-2-octoxy-3,1-benzoxazin-4-one Openeye Name: 5-methyl-7-nitro-2-octoxy-3,1-benzoxazin-4-one CAS Name: 5-methyl-7-nitro-2-octoxy-3,1-benzoxazin-4-one IUPAC Name: 5-methyl-7-nitro-2-octoxy-3,1-benzoxazin-4-one Traditional Name: 5-methyl-7-nitro-2-octoxy-3,1-benzoxazin-4-one Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-3-4-5-6-7-8-9-23-17-18-14-11-13(19(21)22)10-12(2)15(14)16(20)24-17/h10-11H,3-9H2,1-2H3