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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: 1-[6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-oxo-ethyl)pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(2-prop-2-enylphenoxy)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-(2-prop-2-enylphenoxy)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: 1-[6-(2-allylphenoxy)-5-nitro-pyrimidin-4-yl]-N-(2-amino-2-keto-ethyl)pyrrolidine-2-carboxamide Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

Isomeric SMILES

C=CCC1=CC=CC=C1OC2=NC=NC(=C2[N+](=O)[O-])N3CCCC3C(=O)NCC(=O)N

InChI

InChI=1S/C20H22N6O5/c1-2-6-13-7-3-4-9-15(13)31-20-17(26(29)30)18(23-12-24-20)25-10-5-8-14(25)19(28)22-11-16(21)27/h2-4,7,9,12,14H,1,5-6,8,10-11H2,(H2,21,27)(H,22,28)