2,3-bis(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)methyl]propanenitrile

Systemtic Name: 2,3-bis(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)methyl]propanenitrile Openeye Name: 2,3-bis(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)methyl]propanenitrile CAS Name: 2,3-bis(2,6-dimethoxy-5-nitro-4-pyrimidinyl)-2-[(2,6-dimethoxy-5-nitro-4-pyrimidinyl)methyl]propanenitrile IUPAC Name: 2,3-bis(2,6-dimethoxy-5-nitropyrimidin-4-yl)-2-[(2,6-dimethoxy-5-nitropyrimidin-4-yl)methyl]propanenitrile Traditional Name: 2,3-bis(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)-2-[(2,6-dimethoxy-5-nitro-pyrimidin-4-yl)methyl]propionitrile Formula: C22H22N10O12 MolecularWeight: 618.46988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1[N+](=O)[O-])CC(CC2=C(C(=NC(=N2)OC)OC)[N+](=O)[O-])(C#N)C3=C(C(=NC(=N3)OC)OC)[N+](=O)[O-])OC

Isomeric SMILES

COC1=NC(=NC(=C1[N+](=O)[O-])CC(CC2=C(C(=NC(=N2)OC)OC)[N+](=O)[O-])(C#N)C3=C(C(=NC(=N3)OC)OC)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N10O12/c1-39-16-12(30(33)34)10(24-19(27-16)42-4)7-22(9-23,15-14(32(37)38)18(41-3)29-21(26-15)44-6)8-11-13(31(35)36)17(40-2)28-20(25-11)43-5/h7-8H2,1-6H3