1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[(2-imidazol-1-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[(2-imidazol-1-ylpyridin-3-yl)methyl]urea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[(2-imidazol-1-yl-3-pyridyl)methyl]urea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[[2-(1-imidazolyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[(2-imidazol-1-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[(2-imidazol-1-yl-3-pyridyl)methyl]urea Formula: C20H22N6O5 MolecularWeight: 426.42588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)NCC2=C(N=CC=C2)N3C=CN=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)NCC2=C(N=CC=C2)N3C=CN=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N6O5/c1-30-17-10-14(16(26(28)29)11-18(17)31-2)5-7-23-20(27)24-12-15-4-3-6-22-19(15)25-9-8-21-13-25/h3-4,6,8-11,13H,5,7,12H2,1-2H3,(H2,23,24,27)