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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-(3-ethynylphenoxy)-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-(3-ethynylphenoxy)-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-(3-ethynylphenoxy)-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C19H18N6O5 MolecularWeight: 410.38342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N6O5/c1-2-12-5-3-6-13(9-12)30-19-16(25(28)29)17(22-11-23-19)24-8-4-7-14(24)18(27)21-10-15(20)26/h1,3,5-6,9,11,14H,4,7-8,10H2,(H2,20,26)(H,21,27)