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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(3-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(3-bromophenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(3-bromophenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(3-bromophenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(3-bromophenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C17H17BrN6O5 MolecularWeight: 465.25808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN6O5/c18-10-3-1-4-11(7-10)29-17-14(24(27)28)15(21-9-22-17)23-6-2-5-12(23)16(26)20-8-13(19)25/h1,3-4,7,9,12H,2,5-6,8H2,(H2,19,25)(H,20,26)