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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-1-[5-nitro-6-[4-(4-oxidanylidenecyclohexyl)phenoxy]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-1-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-1-[5-nitro-6-[4-(4-oxocyclohexyl)phenoxy]pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-1-[6-[4-(4-ketocyclohexyl)phenoxy]-5-nitro-pyrimidin-4-yl]pyrrolidine-2-carboxamide Formula: C23H26N6O6 MolecularWeight: 482.48914

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4CCC(=O)CC4)[N+](=O)[O-])C(=O)NCC(=O)N

Isomeric SMILES

C1CC(N(C1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C4CCC(=O)CC4)[N+](=O)[O-])C(=O)NCC(=O)N

InChI

InChI=1S/C23H26N6O6/c24-19(31)12-25-22(32)18-2-1-11-28(18)21-20(29(33)34)23(27-13-26-21)35-17-9-5-15(6-10-17)14-3-7-16(30)8-4-14/h5-6,9-10,13-14,18H,1-4,7-8,11-12H2,(H2,24,31)(H,25,32)