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

Systemtic Name: 4-methyl-1,5-bis(oxidanylidene)-2-phenyl-10a-trimethoxyphosphaniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate Openeye Name: 4-methyl-1,5-dioxo-2-phenyl-10a-trimethoxyphosphaniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate CAS Name: 4-methyl-1,5-dioxo-2-phenyl-10a-trimethoxyphosphiniumyl-3-pyrrolo[3,4-b][1,4]benzoxazepinolate IUPAC Name: 4-methyl-1,5-dioxo-2-phenyl-10a-trimethoxyphosphaniumylpyrrolo[3,4-b][1,4]benzoxazepin-3-olate Traditional Name: 1,5-diketo-4-methyl-2-phenyl-10a-trimethoxyphosphiniumyl-pyrrolo[3,4-b][1,4]benzoxazepin-3-olate Formula: C21H21N2O7P MolecularWeight: 444.374401

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N(C(=O)C2(OC3=CC=CC=C3C1=O)[P+](OC)(OC)OC)C4=CC=CC=C4)[O-]

Isomeric SMILES

CN1C2=C(N(C(=O)C2(OC3=CC=CC=C3C1=O)[P+](OC)(OC)OC)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H21N2O7P/c1-22-17-19(25)23(14-10-6-5-7-11-14)20(26)21(17,31(27-2,28-3)29-4)30-16-13-9-8-12-15(16)18(22)24/h5-13H,1-4H3