N-[[4-[4-(4-isocyanopyrazol-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide

Systemtic Name: N-[[4-[4-(4-isocyanopyrazol-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide Openeye Name: N-[[4-[4-(4-isocyanopyrazol-1-yl)phenyl]-5-oxo-isoxazol-2-yl]methyl]acetamide CAS Name: N-[[4-[4-(4-isocyano-1-pyrazolyl)phenyl]-5-oxo-2-isoxazolyl]methyl]acetamide IUPAC Name: N-[[4-[4-(4-isocyanopyrazol-1-yl)phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide Traditional Name: N-[[4-[4-(4-isocyanopyrazol-1-yl)phenyl]-5-keto-3-isoxazolin-2-yl]methyl]acetamide Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3C=C(C=N3)[N+]#[C-]

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3C=C(C=N3)[N+]#[C-]

InChI

InChI=1S/C16H13N5O3/c1-11(22)18-10-20-9-15(16(23)24-20)12-3-5-14(6-4-12)21-8-13(17-2)7-19-21/h3-9H,10H2,1H3,(H,18,22)