2-[4-azanyl-1-(2-oxidanylidene-1H-pyridin-3-yl)butoxy]-4-chloranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[4-azanyl-1-(2-oxidanylidene-1H-pyridin-3-yl)butoxy]-4-chloranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[4-amino-1-(2-oxo-1H-pyridin-3-yl)butoxy]-4-chloro-benzonitrile; oxalic acid CAS Name: 2-[4-amino-1-(2-oxo-1H-pyridin-3-yl)butoxy]-4-chlorobenzonitrile; oxalic acid IUPAC Name: 2-[4-amino-1-(2-oxo-1H-pyridin-3-yl)butoxy]-4-chlorobenzonitrile; oxalic acid Traditional Name: 2-[4-amino-1-(2-keto-1H-pyridin-3-yl)butoxy]-4-chloro-benzonitrile; oxalic acid Formula: C18H18ClN3O6 MolecularWeight: 407.80502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=O)C(=C1)C(CCCN)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CNC(=O)C(=C1)C(CCCN)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H16ClN3O2.C2H2O4/c17-12-6-5-11(10-19)15(9-12)22-14(4-1-7-18)13-3-2-8-20-16(13)21;3-1(4)2(5)6/h2-3,5-6,8-9,14H,1,4,7,18H2,(H,20,21);(H,3,4)(H,5,6)