2-[(3-chloranyl-4-imidazol-1-yl-phenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 2-[(3-chloranyl-4-imidazol-1-yl-phenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-(3-chloro-4-imidazol-1-yl-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 2-[3-chloro-4-(1-imidazolyl)anilino]-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-(3-chloro-4-imidazol-1-ylanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 2-(3-chloro-4-imidazol-1-yl-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C20H13ClN6O3 MolecularWeight: 420.80862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=C(C=C3)N4C=CN=C4)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=C(C=C3)N4C=CN=C4)Cl)C#N)[N+](=O)[O-]

InChI

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