3-[2-(3,5-dinitrophenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-5-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[2-(3,5-dinitrophenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-5-ethoxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]oxy-5-ethoxy-benzonitrile CAS Name: 3-[[2-(3,5-dinitrophenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-5-ethoxybenzonitrile IUPAC Name: 3-[6-(benzylamino)-2-(3,5-dinitrophenoxy)-5-nitropyrimidin-4-yl]oxy-5-ethoxybenzonitrile Traditional Name: 3-[6-(benzylamino)-2-(3,5-dinitrophenoxy)-5-nitro-pyrimidin-4-yl]oxy-5-ethoxy-benzonitrile Formula: C26H19N7O9 MolecularWeight: 573.47056

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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=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H19N7O9/c1-2-40-20-8-17(14-27)9-21(13-20)41-25-23(33(38)39)24(28-15-16-6-4-3-5-7-16)29-26(30-25)42-22-11-18(31(34)35)10-19(12-22)32(36)37/h3-13H,2,15H2,1H3,(H,28,29,30)