4-(4-nitrophenyl)-2-oxidanyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: 4-(4-nitrophenyl)-2-oxidanyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: 2-hydroxy-4-(4-nitrophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: 2-hydroxy-5-keto-4-(4-nitrophenyl)-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)O)C4=CC=CC=C4

Isomeric SMILES

C1C(CC(=O)C2=C1OC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C#N)O)C4=CC=CC=C4

InChI

InChI=1S/C22H16N2O5/c23-12-17-20(14-6-8-16(9-7-14)24(27)28)21-18(25)10-15(11-19(21)29-22(17)26)13-4-2-1-3-5-13/h1-9,15,20,26H,10-11H2