1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C16H14ClN3O4 MolecularWeight: 347.75306

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

InChI

InChI=1S/C16H13N3O4.ClH/c17-16(22)11-2-1-5-19(7-11)8-13(20)10-3-4-14-12(6-10)18-15(21)9-23-14;/h1-7H,8-9H2,(H2-,17,18,21,22);1H