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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(3-ethanoylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: 1-[6-(3-acetylphenoxy)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-oxo-ethyl)pyrrolidine-2-carboxamide CAS Name: 1-[6-(3-acetylphenoxy)-5-nitro-4-pyrimidinyl]-N-(2-amino-2-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-[6-(3-acetylphenoxy)-5-nitropyrimidin-4-yl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-acetylphenoxy)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-keto-ethyl)pyrrolidine-2-carboxamide Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O6/c1-11(26)12-4-2-5-13(8-12)31-19-16(25(29)30)17(22-10-23-19)24-7-3-6-14(24)18(28)21-9-15(20)27/h2,4-5,8,10,14H,3,6-7,9H2,1H3,(H2,20,27)(H,21,28)