2-(5-isocyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethyl benzoate

Systemtic Name: 2-(5-isocyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethyl benzoate Openeye Name: 2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridyl)ethyl benzoate CAS Name: benzoic acid 2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl ester IUPAC Name: 2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxopyridin-1-yl)ethyl benzoate Traditional Name: benzoic acid 2-(2-hydroxy-5-isocyano-6-keto-3,4-dimethyl-1-pyridyl)ethyl ester Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4/c1-11-12(2)15(20)19(16(21)14(11)18-3)9-10-23-17(22)13-7-5-4-6-8-13/h4-8,20H,9-10H2,1-2H3