N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N'-ethanoyl-benzohydrazide

Systemtic Name: N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-N'-ethanoyl-benzohydrazide Openeye Name: N'-acetyl-N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)benzohydrazide CAS Name: N'-acetyl-N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)benzohydrazide IUPAC Name: N'-acetyl-N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzohydrazide Traditional Name: N'-acetyl-N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)benzohydrazide Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NN(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NN(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4/c1-13(25)23-24(20(27)15-7-5-4-6-8-15)18-16-11-14(12-22)9-10-17(16)28-21(2,3)19(18)26/h4-11,18-19,26H,1-3H3,(H,23,25)