4-[[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride

Systemtic Name: 4-[[3-chloranyl-4-(imidazol-1-ylmethyl)phenyl]amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-[3-chloro-4-(1-imidazolylmethyl)anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-[3-chloro-4-(imidazol-1-ylmethyl)anilino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C22H18Cl2N6O3 MolecularWeight: 485.32272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CN4C=CN=C4)Cl)C#N)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)CN4C=CN=C4)Cl)C#N)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H17ClN6O3.ClH/c1-2-32-21-9-19-17(8-20(21)29(30)31)22(15(10-24)11-26-19)27-16-4-3-14(18(23)7-16)12-28-6-5-25-13-28;/h3-9,11,13H,2,12H2,1H3,(H,26,27);1H