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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(1,3-benzodioxol-5-yloxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(1,3-benzodioxol-5-yloxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(1,3-benzodioxol-5-yloxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(1,3-benzodioxol-5-yloxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(1,3-benzodioxol-5-yloxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H18N6O7 MolecularWeight: 430.37152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C18H18N6O7/c19-14(25)7-20-17(26)11-2-1-5-23(11)16-15(24(27)28)18(22-8-21-16)31-10-3-4-12-13(6-10)30-9-29-12/h3-4,6,8,11H,1-2,5,7,9H2,(H2,19,25)(H,20,26)