2-[4-(3-cyano-5-nitro-pyridin-2-yl)-1,4-diazepan-1-yl]-5-nitro-pyridine-3-carbonitrile

Systemtic Name: 2-[4-(3-cyano-5-nitro-pyridin-2-yl)-1,4-diazepan-1-yl]-5-nitro-pyridine-3-carbonitrile Openeye Name: 2-[4-(3-cyano-5-nitro-2-pyridyl)-1,4-diazepan-1-yl]-5-nitro-pyridine-3-carbonitrile CAS Name: 2-[4-(3-cyano-5-nitro-2-pyridinyl)-1,4-diazepan-1-yl]-5-nitro-3-pyridinecarbonitrile IUPAC Name: 2-[4-(3-cyano-5-nitropyridin-2-yl)-1,4-diazepan-1-yl]-5-nitropyridine-3-carbonitrile Traditional Name: 2-[4-(3-cyano-5-nitro-2-pyridyl)-1,4-diazepan-1-yl]-5-nitro-nicotinonitrile Formula: C17H14N8O4 MolecularWeight: 394.34426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2C#N)[N+](=O)[O-])C3=NC=C(C=C3C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2C#N)[N+](=O)[O-])C3=NC=C(C=C3C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N8O4/c18-8-12-6-14(24(26)27)10-20-16(12)22-2-1-3-23(5-4-22)17-13(9-19)7-15(11-21-17)25(28)29/h6-7,10-11H,1-5H2