4-methyl-3-[5-nitro-4-(3-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-methyl-3-[5-nitro-4-(3-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-[4-(benzylamino)-6-(3-benzyloxyphenoxy)-5-nitro-pyrimidin-2-yl]oxy-4-methyl-benzonitrile CAS Name: 4-methyl-3-[[5-nitro-4-(3-phenylmethoxyphenoxy)-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[4-(benzylamino)-5-nitro-6-(3-phenylmethoxyphenoxy)pyrimidin-2-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[4-(3-benzoxyphenoxy)-6-(benzylamino)-5-nitro-pyrimidin-2-yl]oxy-4-methyl-benzonitrile Formula: C32H25N5O5 MolecularWeight: 559.5714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC(=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=C(C(=N2)OC3=CC(=CC=C3)OCC4=CC=CC=C4)[N+](=O)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C32H25N5O5/c1-22-15-16-25(19-33)17-28(22)42-32-35-30(34-20-23-9-4-2-5-10-23)29(37(38)39)31(36-32)41-27-14-8-13-26(18-27)40-21-24-11-6-3-7-12-24/h2-18H,20-21H2,1H3,(H,34,35,36)