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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]urea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]urea Traditional Name: 1-benzyl-3-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]urea Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c1-25-16-10-14(15(21(23)24)11-17(16)26-2)8-9-19-18(22)20-12-13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3,(H2,19,20,22)