4-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-morpholin-4-yl-phenyl)amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(3-chloro-4-morpholino-anilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-[3-chloro-4-(4-morpholinyl)anilino]-7-ethoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(3-chloro-4-morpholin-4-ylanilino)-7-ethoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(3-chloro-4-morpholino-anilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C22H21Cl2N5O4 MolecularWeight: 490.33924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)N4CCOCC4)Cl)C#N)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)N4CCOCC4)Cl)C#N)[N+](=O)[O-].Cl

InChI

InChI=1S/C22H20ClN5O4.ClH/c1-2-32-21-11-18-16(10-20(21)28(29)30)22(14(12-24)13-25-18)26-15-3-4-19(17(23)9-15)27-5-7-31-8-6-27;/h3-4,9-11,13H,2,5-8H2,1H3,(H,25,26);1H