2-hexadecoxy-4-oxidanylidene-3,1-benzoxazine-6-carbonitrile

Systemtic Name: 2-hexadecoxy-4-oxidanylidene-3,1-benzoxazine-6-carbonitrile Openeye Name: 2-hexadecoxy-4-oxo-3,1-benzoxazine-6-carbonitrile CAS Name: 2-hexadecoxy-4-oxo-3,1-benzoxazine-6-carbonitrile IUPAC Name: 2-hexadecoxy-4-oxo-3,1-benzoxazine-6-carbonitrile Traditional Name: 2-cetyloxy-4-keto-3,1-benzoxazine-6-carbonitrile Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C#N)C(=O)O1

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=NC2=C(C=C(C=C2)C#N)C(=O)O1

InChI

InChI=1S/C25H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-25-27-23-17-16-21(20-26)19-22(23)24(28)30-25/h16-17,19H,2-15,18H2,1H3