N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(4-chloranyl-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(4-chloranyl-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(4-chloro-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(4-chloro-2-methoxyphenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(4-chloro-2-methoxyphenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(4-chloro-2-methoxy-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H19ClN6O6 MolecularWeight: 450.83306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)Cl)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)Cl)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C18H19ClN6O6/c1-30-13-7-10(19)4-5-12(13)31-18-15(25(28)29)16(22-9-23-18)24-6-2-3-11(24)17(27)21-8-14(20)26/h4-5,7,9,11H,2-3,6,8H2,1H3,(H2,20,26)(H,21,27)