4-[5-nitro-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 4-[5-nitro-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 4-[5-nitro-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 4-[5-nitro-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-nitro-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 4-[5-nitro-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]pyrimidin-4-yl]benzonitrile Formula: C18H14N8O4 MolecularWeight: 406.35496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NC(=NC=C2[N+](=O)[O-])NCCNC3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NC(=NC=C2[N+](=O)[O-])NCCNC3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N8O4/c19-9-12-1-3-13(4-2-12)17-15(26(29)30)11-23-18(24-17)21-8-7-20-16-6-5-14(10-22-16)25(27)28/h1-6,10-11H,7-8H2,(H,20,22)(H,21,23,24)