7-ethoxy-6-nitro-4-[(3-phenylmethoxyphenyl)amino]quinoline-3-carbonitrile hydrochloride

Systemtic Name: 7-ethoxy-6-nitro-4-[(3-phenylmethoxyphenyl)amino]quinoline-3-carbonitrile hydrochloride Openeye Name: 4-(3-benzyloxyanilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride CAS Name: 7-ethoxy-6-nitro-4-(3-phenylmethoxyanilino)-3-quinolinecarbonitrile hydrochloride IUPAC Name: 7-ethoxy-6-nitro-4-(3-phenylmethoxyanilino)quinoline-3-carbonitrile hydrochloride Traditional Name: 4-(3-benzoxyanilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile hydrochloride Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O4.ClH/c1-2-32-24-13-22-21(12-23(24)29(30)31)25(18(14-26)15-27-22)28-19-9-6-10-20(11-19)33-16-17-7-4-3-5-8-17;/h3-13,15H,2,16H2,1H3,(H,27,28);1H