6-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one hydrate

Systemtic Name: 6-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one hydrate Openeye Name: 6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one hydrate CAS Name: 6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one hydrate IUPAC Name: 6-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydro-1H-quinolin-2-one hydrate Traditional Name: 6-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)-3,4-dihydrocarbostyril hydrate Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C3=NNC(=O)C4C3C4.O

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)C3=NNC(=O)C4C3C4.O

InChI

InChI=1S/C14H13N3O2.H2O/c18-12-4-2-7-5-8(1-3-11(7)15-12)13-9-6-10(9)14(19)17-16-13;/h1,3,5,9-10H,2,4,6H2,(H,15,18)(H,17,19);1H2