2-dodecyl-7-nitro-6-oxidanyl-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-dodecyl-7-nitro-6-oxidanyl-4H-1,4-benzoxazin-3-one Openeye Name: 2-dodecyl-6-hydroxy-7-nitro-4H-1,4-benzoxazin-3-one CAS Name: 2-dodecyl-6-hydroxy-7-nitro-4H-1,4-benzoxazin-3-one IUPAC Name: 2-dodecyl-6-hydroxy-7-nitro-4H-1,4-benzoxazin-3-one Traditional Name: 6-hydroxy-2-lauryl-7-nitro-4H-1,4-benzoxazin-3-one Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCC1C(=O)NC2=CC(=C(C=C2O1)[N+](=O)[O-])O

InChI

InChI=1S/C20H30N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-18-20(24)21-15-13-17(23)16(22(25)26)14-19(15)27-18/h13-14,18,23H,2-12H2,1H3,(H,21,24)