2-[[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]-methyl-amino]ethanenitrile

Systemtic Name: 2-[[1,3-dimethyl-5-nitro-2,6-bis(oxidanylidene)pyrimidin-4-yl]-methyl-amino]ethanenitrile Openeye Name: 2-[(1,3-dimethyl-5-nitro-2,6-dioxo-pyrimidin-4-yl)-methyl-amino]acetonitrile CAS Name: 2-[(1,3-dimethyl-5-nitro-2,6-dioxo-4-pyrimidinyl)-methylamino]acetonitrile IUPAC Name: 2-[(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)-methylamino]acetonitrile Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-5-nitro-pyrimidin-4-yl)-methyl-amino]acetonitrile Formula: C9H11N5O4 MolecularWeight: 253.21474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N(C)CC#N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N(C)CC#N

InChI

InChI=1S/C9H11N5O4/c1-11(5-4-10)7-6(14(17)18)8(15)13(3)9(16)12(7)2/h5H2,1-3H3