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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(2-chloranyl-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(2-chloro-4-methylphenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(2-chloro-4-methylphenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(2-chloro-4-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C18H19ClN6O5 MolecularWeight: 434.83366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N)Cl

InChI

InChI=1S/C18H19ClN6O5/c1-10-4-5-13(11(19)7-10)30-18-15(25(28)29)16(22-9-23-18)24-6-2-3-12(24)17(27)21-8-14(20)26/h4-5,7,9,12H,2-3,6,8H2,1H3,(H2,20,26)(H,21,27)