4-chloranyl-2-[3-methoxy-5-(methylaminomethyl)phenoxy]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-chloranyl-2-[3-methoxy-5-(methylaminomethyl)phenoxy]benzenecarbonitrile; ethanedioic acid Openeye Name: 4-chloro-2-[3-methoxy-5-(methylaminomethyl)phenoxy]benzonitrile; oxalic acid CAS Name: 4-chloro-2-[3-methoxy-5-(methylaminomethyl)phenoxy]benzonitrile; oxalic acid IUPAC Name: 4-chloro-2-[3-methoxy-5-(methylaminomethyl)phenoxy]benzonitrile; oxalic acid Traditional Name: 4-chloro-2-[3-methoxy-5-(methylaminomethyl)phenoxy]benzonitrile; oxalic acid Formula: C18H17ClN2O6 MolecularWeight: 392.79038

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=CC(=C1)OC)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CNCC1=CC(=CC(=C1)OC)OC2=C(C=CC(=C2)Cl)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H15ClN2O2.C2H2O4/c1-19-10-11-5-14(20-2)8-15(6-11)21-16-7-13(17)4-3-12(16)9-18;3-1(4)2(5)6/h3-8,19H,10H2,1-2H3;(H,3,4)(H,5,6)