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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(3-chloro-4-fluoro-anilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-(3-chloro-4-fluoroanilino)-7-ethoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-ethoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(3-chloro-4-fluoro-anilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C18H13Cl2FN4O3 MolecularWeight: 423.225223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClFN4O3.ClH/c1-2-27-17-7-15-12(6-16(17)24(25)26)18(10(8-21)9-22-15)23-11-3-4-14(20)13(19)5-11;/h3-7,9H,2H2,1H3,(H,22,23);1H