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

Systemtic Name: 4-[(3-chloranyl-4-phenylmethoxy-phenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(4-benzyloxy-3-chloro-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 4-(3-chloro-4-phenylmethoxyanilino)-7-methoxy-6-nitro-3-quinolinecarbonitrile hydrochloride IUPAC Name: 4-(3-chloro-4-phenylmethoxyanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile hydrochloride Traditional Name: 4-(4-benzoxy-3-chloro-anilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C24H18Cl2N4O4 MolecularWeight: 497.33012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)Cl)C#N)[N+](=O)[O-].Cl

Isomeric SMILES

COC1=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/C24H17ClN4O4.ClH/c1-32-23-11-20-18(10-21(23)29(30)31)24(16(12-26)13-27-20)28-17-7-8-22(19(25)9-17)33-14-15-5-3-2-4-6-15;/h2-11,13H,14H2,1H3,(H,27,28);1H