2-(3-oxidanylpropylimino)-5-(1-oxidanylpyridin-4-ylidene)pyridine-3-carbonitrile hydrate

Systemtic Name: 2-(3-oxidanylpropylimino)-5-(1-oxidanylpyridin-4-ylidene)pyridine-3-carbonitrile hydrate Openeye Name: 2-(3-hydroxypropylimino)-5-(1-hydroxy-4-pyridylidene)pyridine-3-carbonitrile hydrate CAS Name: 2-(3-hydroxypropylimino)-5-(1-hydroxy-4-pyridinylidene)-3-pyridinecarbonitrile hydrate IUPAC Name: 2-(3-hydroxypropylimino)-5-(1-hydroxypyridin-4-ylidene)pyridine-3-carbonitrile hydrate Traditional Name: 2-(3-hydroxypropylimino)-5-(1-hydroxy-4-pyridylidene)nicotinonitrile hydrate Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=CC1=C2C=C(C(=NCCCO)N=C2)C#N)O.O

Isomeric SMILES

C1=CN(C=CC1=C2C=C(C(=NCCCO)N=C2)C#N)O.O

InChI

InChI=1S/C14H14N4O2.H2O/c15-9-12-8-13(11-2-5-18(20)6-3-11)10-17-14(12)16-4-1-7-19;/h2-3,5-6,8,10,19-20H,1,4,7H2;1H2