3-[2,5-bis(azanyl)phenyl]-4-methoxy-benzenecarbonitrile dihydrochloride

Systemtic Name: 3-[2,5-bis(azanyl)phenyl]-4-methoxy-benzenecarbonitrile dihydrochloride Openeye Name: 3-(2,5-diaminophenyl)-4-methoxy-benzonitrile dihydrochloride CAS Name: 3-(2,5-diaminophenyl)-4-methoxybenzonitrile dihydrochloride IUPAC Name: 3-(2,5-diaminophenyl)-4-methoxybenzonitrile dihydrochloride Traditional Name: 3-(2,5-diaminophenyl)-4-methoxy-benzonitrile dihydrochloride Formula: C14H15Cl2N3O MolecularWeight: 312.1944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#N)C2=C(C=CC(=C2)N)N.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C#N)C2=C(C=CC(=C2)N)N.Cl.Cl

InChI

InChI=1S/C14H13N3O.2ClH/c1-18-14-5-2-9(8-15)6-12(14)11-7-10(16)3-4-13(11)17;;/h2-7H,16-17H2,1H3;2*1H