1-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-3-(3-cyanocyclohexyl)urea

Systemtic Name: 1-[2-[3,4-bis(oxidanyl)phenyl]-3-oxidanyl-4-oxidanylidene-chromen-6-yl]-3-(3-cyanocyclohexyl)urea Openeye Name: 1-(3-cyanocyclohexyl)-3-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-chromen-6-yl]urea CAS Name: 1-(3-cyanocyclohexyl)-3-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxo-1-benzopyran-6-yl]urea IUPAC Name: 1-(3-cyanocyclohexyl)-3-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-oxochromen-6-yl]urea Traditional Name: 1-(3-cyanocyclohexyl)-3-[2-(3,4-dihydroxyphenyl)-3-hydroxy-4-keto-chromen-6-yl]urea Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=O)NC2=CC3=C(C=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)C#N

Isomeric SMILES

C1CC(CC(C1)NC(=O)NC2=CC3=C(C=C2)OC(=C(C3=O)O)C4=CC(=C(C=C4)O)O)C#N

InChI

InChI=1S/C23H21N3O6/c24-11-12-2-1-3-14(8-12)25-23(31)26-15-5-7-19-16(10-15)20(29)21(30)22(32-19)13-4-6-17(27)18(28)9-13/h4-7,9-10,12,14,27-28,30H,1-3,8H2,(H2,25,26,31)