[3-(5-chloranyl-1,3-benzoxazol-2-yl)-4-cyano-2-oxidanylidene-chromen-7-yl] dihydrogen phosphate

Systemtic Name: [3-(5-chloranyl-1,3-benzoxazol-2-yl)-4-cyano-2-oxidanylidene-chromen-7-yl] dihydrogen phosphate Openeye Name: [3-(5-chloro-1,3-benzoxazol-2-yl)-4-cyano-2-oxo-chromen-7-yl] dihydrogen phosphate CAS Name: [3-(5-chloro-1,3-benzoxazol-2-yl)-4-cyano-2-oxo-1-benzopyran-7-yl] dihydrogen phosphate IUPAC Name: [3-(5-chloro-1,3-benzoxazol-2-yl)-4-cyano-2-oxochromen-7-yl] dihydrogen phosphate Traditional Name: [3-(5-chloro-1,3-benzoxazol-2-yl)-4-cyano-2-keto-chromen-7-yl] dihydrogen phosphate Formula: C17H8ClN2O7P MolecularWeight: 418.681381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OP(=O)(O)O)OC(=O)C(=C2C#N)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1=CC2=C(C=C1OP(=O)(O)O)OC(=O)C(=C2C#N)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C17H8ClN2O7P/c18-8-1-4-13-12(5-8)20-16(25-13)15-11(7-19)10-3-2-9(27-28(22,23)24)6-14(10)26-17(15)21/h1-6H,(H2,22,23,24)