2-hexadecoxy-6-nitro-3,1-benzoxazin-4-one

Systemtic Name: 2-hexadecoxy-6-nitro-3,1-benzoxazin-4-one Openeye Name: 2-hexadecoxy-6-nitro-3,1-benzoxazin-4-one CAS Name: 2-hexadecoxy-6-nitro-3,1-benzoxazin-4-one IUPAC Name: 2-hexadecoxy-6-nitro-3,1-benzoxazin-4-one Traditional Name: 2-cetyloxy-6-nitro-3,1-benzoxazin-4-one Formula: C24H36N2O5 MolecularWeight: 432.55304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1

InChI

InChI=1S/C24H36N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-30-24-25-22-17-16-20(26(28)29)19-21(22)23(27)31-24/h16-17,19H,2-15,18H2,1H3