2-[2-chloranyl-5-methyl-4-[(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]phenyl]-2-(4-chlorophenyl)ethanenitrile

Systemtic Name: 2-[2-chloranyl-5-methyl-4-[(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]phenyl]-2-(4-chlorophenyl)ethanenitrile Openeye Name: 2-[2-chloro-5-methyl-4-[[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]-2-(4-chlorophenyl)acetonitrile CAS Name: 2-[2-chloro-5-methyl-4-[[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]phenyl]-2-(4-chlorophenyl)acetonitrile IUPAC Name: 2-[2-chloro-5-methyl-4-[(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)amino]phenyl]-2-(4-chlorophenyl)acetonitrile Traditional Name: 2-[2-chloro-5-methyl-4-[[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]-2-(4-chlorophenyl)acetonitrile Formula: C29H19Cl2N5O3 MolecularWeight: 556.39886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-])Cl)C(C#N)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC2=C(C(=NC=N2)OC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-])Cl)C(C#N)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H19Cl2N5O3/c1-17-12-23(24(15-32)19-6-9-21(30)10-7-19)25(31)14-26(17)35-28-27(36(37)38)29(34-16-33-28)39-22-11-8-18-4-2-3-5-20(18)13-22/h2-14,16,24H,1H3,(H,33,34,35)