[4-(3-nitro-1,2,4-triazol-1-yl)-2-oxidanylidene-pyrimidin-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-(3-nitro-1,2,4-triazol-1-yl)-2-oxidanylidene-pyrimidin-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-(3-nitro-1,2,4-triazol-1-yl)-2-oxo-pyrimidin-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-(3-nitro-1,2,4-triazol-1-yl)-2-oxo-1-pyrimidinyl]methyl ester IUPAC Name: [4-(3-nitro-1,2,4-triazol-1-yl)-2-oxopyrimidin-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-keto-4-(3-nitro-1,2,4-triazol-1-yl)pyrimidin-1-yl]methyl ester Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCN1C=CC(=NC1=O)N2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)OCN1C=CC(=NC1=O)N2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H14N6O5/c1-12(2,3)9(19)23-7-16-5-4-8(14-11(16)20)17-6-13-10(15-17)18(21)22/h4-6H,7H2,1-3H3