4-tert-butyl-3-[4-(3-ethoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-benzenecarbonitrile

Systemtic Name: 4-tert-butyl-3-[4-(3-ethoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-2-yl]oxy-benzenecarbonitrile Openeye Name: 3-[4-(benzylamino)-6-(3-ethoxyphenoxy)-5-nitro-pyrimidin-2-yl]oxy-4-tert-butyl-benzonitrile CAS Name: 4-tert-butyl-3-[[4-(3-ethoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-2-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[4-(benzylamino)-6-(3-ethoxyphenoxy)-5-nitropyrimidin-2-yl]oxy-4-tert-butylbenzonitrile Traditional Name: 3-[4-(benzylamino)-6-(3-ethoxyphenoxy)-5-nitro-pyrimidin-2-yl]oxy-4-tert-butyl-benzonitrile Formula: C30H29N5O5 MolecularWeight: 539.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)OC4=C(C=CC(=C4)C#N)C(C)(C)C

InChI

InChI=1S/C30H29N5O5/c1-5-38-22-12-9-13-23(17-22)39-28-26(35(36)37)27(32-19-20-10-7-6-8-11-20)33-29(34-28)40-25-16-21(18-31)14-15-24(25)30(2,3)4/h6-17H,5,19H2,1-4H3,(H,32,33,34)