3-[2-(3-chloranyl-5-methoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-ethoxy-benzenecarbonitrile

Systemtic Name: 3-[2-(3-chloranyl-5-methoxy-phenoxy)-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-ethoxy-benzenecarbonitrile Openeye Name: 3-[6-(benzylamino)-2-(3-chloro-5-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-ethoxy-benzonitrile CAS Name: 3-[[2-(3-chloro-5-methoxyphenoxy)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-4-ethoxybenzonitrile IUPAC Name: 3-[6-(benzylamino)-2-(3-chloro-5-methoxyphenoxy)-5-nitropyrimidin-4-yl]oxy-4-ethoxybenzonitrile Traditional Name: 3-[6-(benzylamino)-2-(3-chloro-5-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-4-ethoxy-benzonitrile Formula: C27H22ClN5O6 MolecularWeight: 547.94648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN5O6/c1-3-37-22-10-9-18(15-29)11-23(22)39-26-24(33(34)35)25(30-16-17-7-5-4-6-8-17)31-27(32-26)38-21-13-19(28)12-20(14-21)36-2/h4-14H,3,16H2,1-2H3,(H,30,31,32)