N-[3-(5-isocyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)propyl]benzamide

Systemtic Name: N-[3-(5-isocyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)propyl]benzamide Openeye Name: N-[3-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridyl)propyl]benzamide CAS Name: N-[3-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)propyl]benzamide IUPAC Name: N-[3-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxopyridin-1-yl)propyl]benzamide Traditional Name: N-[3-(2-hydroxy-5-isocyano-6-keto-3,4-dimethyl-1-pyridyl)propyl]benzamide Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C)O)CCCNC(=O)C2=CC=CC=C2)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C)O)CCCNC(=O)C2=CC=CC=C2)[N+]#[C-]

InChI

InChI=1S/C18H19N3O3/c1-12-13(2)17(23)21(18(24)15(12)19-3)11-7-10-20-16(22)14-8-5-4-6-9-14/h4-6,8-9,23H,7,10-11H2,1-2H3,(H,20,22)