N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(3,4-dimethoxyphenyl)quinazolin-4-amine

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(3,4-dimethoxyphenyl)quinazolin-4-amine Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(3,4-dimethoxyphenyl)quinazolin-4-amine CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(3,4-dimethoxyphenyl)-4-quinazolinamine IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(3,4-dimethoxyphenyl)quinazolin-4-amine Traditional Name: [3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]amine Formula: C29H23ClN4O5 MolecularWeight: 542.96972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC3=NC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC3=NC(=NC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)Cl

InChI

InChI=1S/C29H23ClN4O5/c1-17-12-21(9-10-24(17)30)39-22-15-19(14-20(16-22)34(35)36)31-29-23-6-4-5-7-25(23)32-28(33-29)18-8-11-26(37-2)27(13-18)38-3/h4-16H,1-3H3,(H,31,32,33)