2,7-dihydro-1,2-benzoxazin-6-one tetrahydrate

Systemtic Name: 2,7-dihydro-1,2-benzoxazin-6-one tetrahydrate Openeye Name: 2,7-dihydro-1,2-benzoxazin-6-one tetrahydrate CAS Name: 2,7-dihydro-1,2-benzoxazin-6-one tetrahydrate IUPAC Name: 2,7-dihydro-1,2-benzoxazin-6-one tetrahydrate Traditional Name: 2,7-dihydro-1,2-benzoxazin-6-one tetrahydrate Formula: C8H15NO6 MolecularWeight: 221.2078

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(=CC1=O)C=CNO2.O.O.O.O

Isomeric SMILES

C1C=C2C(=CC1=O)C=CNO2.O.O.O.O

InChI

InChI=1S/C8H7NO2.4H2O/c10-7-1-2-8-6(5-7)3-4-9-11-8;;;;/h2-5,9H,1H2;4*1H2