2-[cyanomethyl-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-(6-naphthalen-2-yloxy-5-nitro-pyrimidin-4-yl)amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-(2-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-(2-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-(6-naphthalen-2-yloxy-5-nitropyrimidin-4-yl)amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(2-naphthoxy)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C18H12N6O3 MolecularWeight: 360.32628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC3=NC=NC(=C3[N+](=O)[O-])N(CC#N)CC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC3=NC=NC(=C3[N+](=O)[O-])N(CC#N)CC#N

InChI

InChI=1S/C18H12N6O3/c19-7-9-23(10-8-20)17-16(24(25)26)18(22-12-21-17)27-15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,9-10H2