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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[1-[4-(1-imidazolyl)phenyl]ethyl]urea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-[1-(4-imidazol-1-ylphenyl)ethyl]urea Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)NCCC3=CC(=C(C=C3[N+](=O)[O-])OC)OC

InChI

InChI=1S/C22H25N5O5/c1-15(16-4-6-18(7-5-16)26-11-10-23-14-26)25-22(28)24-9-8-17-12-20(31-2)21(32-3)13-19(17)27(29)30/h4-7,10-15H,8-9H2,1-3H3,(H2,24,25,28)