N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide hydrate

Systemtic Name: N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide hydrate Openeye Name: N-[(E)-(4-chlorophenyl)methyleneamino]pyridine-4-carboxamide hydrate CAS Name: N-[(E)-(4-chlorophenyl)methylideneamino]-4-pyridinecarboxamide hydrate IUPAC Name: N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide hydrate Traditional Name: N-[(E)-(4-chlorobenzylidene)amino]isonicotinamide hydrate Formula: C13H12ClN3O2 MolecularWeight: 277.70628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=O)C2=CC=NC=C2)Cl.O

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)Cl.O

InChI

InChI=1S/C13H10ClN3O.H2O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11;/h1-9H,(H,17,18);1H2/b16-9+;