2-heptadecyl-7-nitro-3,1-benzoxazin-4-one

Systemtic Name: 2-heptadecyl-7-nitro-3,1-benzoxazin-4-one Openeye Name: 2-heptadecyl-7-nitro-3,1-benzoxazin-4-one CAS Name: 2-heptadecyl-7-nitro-3,1-benzoxazin-4-one IUPAC Name: 2-heptadecyl-7-nitro-3,1-benzoxazin-4-one Traditional Name: 2-heptadecyl-7-nitro-3,1-benzoxazin-4-one Formula: C25H38N2O4 MolecularWeight: 430.58022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C25H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-26-23-20-21(27(29)30)18-19-22(23)25(28)31-24/h18-20H,2-17H2,1H3