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

Systemtic Name: 4-[(3-chloranyl-4-imidazol-1-yl-phenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(3-chloro-4-imidazol-1-yl-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-[3-chloro-4-(1-imidazolyl)anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(3-chloro-4-imidazol-1-ylanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(3-chloro-4-imidazol-1-yl-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C20H14Cl2N6O3 MolecularWeight: 457.26956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)N4C=CN=C4)Cl)C#N)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)N4C=CN=C4)Cl)C#N)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H13ClN6O3.ClH/c1-30-19-8-16-14(7-18(19)27(28)29)20(12(9-22)10-24-16)25-13-2-3-17(15(21)6-13)26-5-4-23-11-26;/h2-8,10-11H,1H3,(H,24,25);1H