N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(methoxymethyl)-2-oxidanylidene-chromen-7-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[6-[4-(methoxymethyl)-2-oxidanylidene-chromen-7-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[6-[4-(methoxymethyl)-2-oxo-chromen-7-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[6-[[4-(methoxymethyl)-2-oxo-1-benzopyran-7-yl]oxy]-5-nitro-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[6-[4-(methoxymethyl)-2-oxochromen-7-yl]oxy-5-nitropyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[2-keto-4-(methoxymethyl)chromen-7-yl]oxy-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C22H22N6O8 MolecularWeight: 498.44548

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)OC2=C1C=CC(=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4C(=O)NCC(=O)N

Isomeric SMILES

COCC1=CC(=O)OC2=C1C=CC(=C2)OC3=NC=NC(=C3[N+](=O)[O-])N4CCCC4C(=O)NCC(=O)N

InChI

InChI=1S/C22H22N6O8/c1-34-10-12-7-18(30)36-16-8-13(4-5-14(12)16)35-22-19(28(32)33)20(25-11-26-22)27-6-2-3-15(27)21(31)24-9-17(23)29/h4-5,7-8,11,15H,2-3,6,9-10H2,1H3,(H2,23,29)(H,24,31)