dimethyl 2-(2-oxidanylidene-3,4-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-yl)but-2-enedioate

Systemtic Name: dimethyl 2-(2-oxidanylidene-3,4-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-yl)but-2-enedioate Openeye Name: dimethyl 2-(2-oxo-3,4-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-yl)but-2-enedioate CAS Name: 2-(2-oxo-3,4-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-yl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-oxo-3,4-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-yl)but-2-enedioate Traditional Name: 2-(2-keto-3,4-dihydro-1H-pyrido[2,1-b][1,3]benzoxazol-10-ium-4-yl)but-2-enedioic acid dimethyl ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[C-]=C(C1CC(=O)C[N+]2=C1OC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)[C-]=C(C1CC(=O)C[N+]2=C1OC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C17H15NO6/c1-22-15(20)8-12(17(21)23-2)11-7-10(19)9-18-13-5-3-4-6-14(13)24-16(11)18/h3-6,11H,7,9H2,1-2H3