4-[2,5-bis(oxidanylidene)piperazin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[2,5-bis(oxidanylidene)piperazin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-(2,5-dioxopiperazin-1-yl)-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-(2,5-dioxo-1-piperazinyl)-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-(2,5-dioxopiperazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-(2,5-diketopiperazino)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CC(=O)NCC3=O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CC(=O)NCC3=O)O)C

InChI

InChI=1S/C16H17N3O4/c1-16(2)15(22)14(19-8-12(20)18-7-13(19)21)10-5-9(6-17)3-4-11(10)23-16/h3-5,14-15,22H,7-8H2,1-2H3,(H,18,20)