2-(4-azanyl-1-methoxy-butan-2-yl)oxy-4-chloranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-(4-azanyl-1-methoxy-butan-2-yl)oxy-4-chloranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-amino-1-(methoxymethyl)propoxy]-4-chloro-benzonitrile; oxalic acid CAS Name: 2-(4-amino-1-methoxybutan-2-yl)oxy-4-chlorobenzonitrile; oxalic acid IUPAC Name: 2-(4-amino-1-methoxybutan-2-yl)oxy-4-chlorobenzonitrile; oxalic acid Traditional Name: 2-[3-amino-1-(methoxymethyl)propoxy]-4-chloro-benzonitrile; oxalic acid Formula: C14H17ClN2O6 MolecularWeight: 344.74758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(CCN)OC1=C(C=CC(=C1)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

COCC(CCN)OC1=C(C=CC(=C1)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H15ClN2O2.C2H2O4/c1-16-8-11(4-5-14)17-12-6-10(13)3-2-9(12)7-15;3-1(4)2(5)6/h2-3,6,11H,4-5,8,14H2,1H3;(H,3,4)(H,5,6)