4-methyl-1,5-bis(oxidanylidene)-2-phenyl-10a-triethoxyphosphaniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate

Systemtic Name: 4-methyl-1,5-bis(oxidanylidene)-2-phenyl-10a-triethoxyphosphaniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate Openeye Name: 4-methyl-1,5-dioxo-2-phenyl-10a-triethoxyphosphaniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate CAS Name: 4-methyl-1,5-dioxo-2-phenyl-10a-triethoxyphosphiniumyl-3-pyrrolo[3,4-b][1,4]benzoxazepinolate IUPAC Name: 4-methyl-1,5-dioxo-2-phenyl-10a-triethoxyphosphaniumylpyrrolo[3,4-b][1,4]benzoxazepin-3-olate Traditional Name: 1,5-diketo-4-methyl-2-phenyl-10a-triethoxyphosphiniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate Formula: C24H27N2O7P MolecularWeight: 486.454141

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Descriptors Computed from Structure

Canonical SMILES:

CCO[P+](C12C(=C(N(C1=O)C3=CC=CC=C3)[O-])N(C(=O)C4=CC=CC=C4O2)C)(OCC)OCC

Isomeric SMILES

CCO[P+](C12C(=C(N(C1=O)C3=CC=CC=C3)[O-])N(C(=O)C4=CC=CC=C4O2)C)(OCC)OCC

InChI

InChI=1S/C24H27N2O7P/c1-5-30-34(31-6-2,32-7-3)24-20(22(28)26(23(24)29)17-13-9-8-10-14-17)25(4)21(27)18-15-11-12-16-19(18)33-24/h8-16H,5-7H2,1-4H3