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

Systemtic Name: 4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(4-benzyloxy-3-chloro-anilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-(3-chloro-4-phenylmethoxyanilino)-7-ethoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(3-chloro-4-phenylmethoxyanilino)-7-ethoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(4-benzoxy-3-chloro-anilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C25H20Cl2N4O4 MolecularWeight: 511.3567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)[N+](=O)[O-].Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)[N+](=O)[O-].Cl

InChI

InChI=1S/C25H19ClN4O4.ClH/c1-2-33-24-12-21-19(11-22(24)30(31)32)25(17(13-27)14-28-21)29-18-8-9-23(20(26)10-18)34-15-16-6-4-3-5-7-16;/h3-12,14H,2,15H2,1H3,(H,28,29);1H