N-[[4-[4-(3-isocyanopyrrol-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide

Systemtic Name: N-[[4-[4-(3-isocyanopyrrol-1-yl)phenyl]-5-oxidanylidene-1,2-oxazol-2-yl]methyl]ethanamide Openeye Name: N-[[4-[4-(3-isocyanopyrrol-1-yl)phenyl]-5-oxo-isoxazol-2-yl]methyl]acetamide CAS Name: N-[[4-[4-(3-isocyano-1-pyrrolyl)phenyl]-5-oxo-2-isoxazolyl]methyl]acetamide IUPAC Name: N-[[4-[4-(3-isocyanopyrrol-1-yl)phenyl]-5-oxo-1,2-oxazol-2-yl]methyl]acetamide Traditional Name: N-[[4-[4-(3-isocyanopyrrol-1-yl)phenyl]-5-keto-3-isoxazolin-2-yl]methyl]acetamide Formula: C17H14N4O3 MolecularWeight: 322.31806

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3C=CC(=C3)[N+]#[C-]

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC=C(C=C2)N3C=CC(=C3)[N+]#[C-]

InChI

InChI=1S/C17H14N4O3/c1-12(22)19-11-21-10-16(17(23)24-21)13-3-5-15(6-4-13)20-8-7-14(9-20)18-2/h3-10H,11H2,1H3,(H,19,22)