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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(6-chloranylpyridin-2-yl)oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[(6-chloro-2-pyridyl)oxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[(6-chloro-2-pyridinyl)oxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(6-chloropyridin-2-yl)oxy-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[(6-chloro-2-pyridyl)oxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C16H16ClN7O5 MolecularWeight: 421.79514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN7O5/c17-10-4-1-5-12(22-10)29-16-13(24(27)28)14(20-8-21-16)23-6-2-3-9(23)15(26)19-7-11(18)25/h1,4-5,8-9H,2-3,6-7H2,(H2,18,25)(H,19,26)