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

Systemtic Name: 2-hexadecoxy-6-isocyano-3,1-benzoxazin-4-one Openeye Name: 2-hexadecoxy-6-isocyano-3,1-benzoxazin-4-one CAS Name: 2-hexadecoxy-6-isocyano-3,1-benzoxazin-4-one IUPAC Name: 2-hexadecoxy-6-isocyano-3,1-benzoxazin-4-one Traditional Name: 2-cetyloxy-6-isocyano-3,1-benzoxazin-4-one Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-25-27-23-18-17-21(26-2)20-22(23)24(28)30-25/h17-18,20H,3-16,19H2,1H3