N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2,1,3-benzoxadiazol-5-yloxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-(6-benzofurazan-5-yloxy-5-nitro-pyrimidin-4-yl)pyrrolidine-2-carboxamide Formula: C17H16N8O6 MolecularWeight: 428.35894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC4=NON=C4C=C3)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC4=NON=C4C=C3)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C17H16N8O6/c18-13(26)7-19-16(27)12-2-1-5-24(12)15-14(25(28)29)17(21-8-20-15)30-9-3-4-10-11(6-9)23-31-22-10/h3-4,6,8,12H,1-2,5,7H2,(H2,18,26)(H,19,27)