N-(5-chloranylpyridin-2-yl)-4-oxidanylidene-1H-quinoline-3-carboxamide hydrate

Systemtic Name: N-(5-chloranylpyridin-2-yl)-4-oxidanylidene-1H-quinoline-3-carboxamide hydrate Openeye Name: N-(5-chloro-2-pyridyl)-4-oxo-1H-quinoline-3-carboxamide hydrate CAS Name: N-(5-chloro-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide hydrate IUPAC Name: N-(5-chloropyridin-2-yl)-4-oxo-1H-quinoline-3-carboxamide hydrate Traditional Name: N-(5-chloro-2-pyridyl)-4-keto-1H-quinoline-3-carboxamide hydrate Formula: C15H12ClN3O3 MolecularWeight: 317.72708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NC3=NC=C(C=C3)Cl.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)NC3=NC=C(C=C3)Cl.O

InChI

InChI=1S/C15H10ClN3O2.H2O/c16-9-5-6-13(18-7-9)19-15(21)11-8-17-12-4-2-1-3-10(12)14(11)20;/h1-8H,(H,17,20)(H,18,19,21);1H2