2-[2-(5-isocyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(5-isocyano-3,4-dimethyl-2-oxidanyl-6-oxidanylidene-pyridin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridyl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxo-1-pyridinyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-hydroxy-5-isocyano-3,4-dimethyl-6-oxopyridin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-(2-hydroxy-5-isocyano-6-keto-3,4-dimethyl-1-pyridyl)ethyl]isoindoline-1,3-quinone Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=C1C)O)CCN2C(=O)C3=CC=CC=C3C2=O)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=O)N(C(=C1C)O)CCN2C(=O)C3=CC=CC=C3C2=O)[N+]#[C-]

InChI

InChI=1S/C18H15N3O4/c1-10-11(2)15(22)20(18(25)14(10)19-3)8-9-21-16(23)12-6-4-5-7-13(12)17(21)24/h4-7,22H,8-9H2,1-2H3