1-methyl-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrate

Systemtic Name: 1-methyl-7-oxidanyl-3,4-dihydro-2H-isoquinolin-6-one hydrate Openeye Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one hydrate CAS Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one hydrate IUPAC Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one hydrate Traditional Name: 7-hydroxy-1-methyl-3,4-dihydro-2H-isoquinolin-6-one hydrate Formula: C10H13NO3 MolecularWeight: 195.21512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)C=C2CCN1)O.O

Isomeric SMILES

CC1=C2C=C(C(=O)C=C2CCN1)O.O

InChI

InChI=1S/C10H11NO2.H2O/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6;/h4-5,11,13H,2-3H2,1H3;1H2