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

Systemtic Name: N'-(6-cyano-2,2-dimethyl-3-oxidanyl-4H-chromen-3-yl)-N'-ethanoyl-benzohydrazide hydrate Openeye Name: N'-acetyl-N'-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-3-yl)benzohydrazide hydrate CAS Name: N'-acetyl-N'-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-3-yl)benzohydrazide hydrate IUPAC Name: N'-acetyl-N'-(6-cyano-3-hydroxy-2,2-dimethyl-4H-chromen-3-yl)benzohydrazide hydrate Traditional Name: N'-acetyl-N'-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-3-yl)benzohydrazide hydrate Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1(CC2=C(C=CC(=C2)C#N)OC1(C)C)O)NC(=O)C3=CC=CC=C3.O

Isomeric SMILES

CC(=O)N(C1(CC2=C(C=CC(=C2)C#N)OC1(C)C)O)NC(=O)C3=CC=CC=C3.O

InChI

InChI=1S/C21H21N3O4.H2O/c1-14(25)24(23-19(26)16-7-5-4-6-8-16)21(27)12-17-11-15(13-22)9-10-18(17)28-20(21,2)3;/h4-11,27H,12H2,1-3H3,(H,23,26);1H2