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

Systemtic Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-pyridylmethyl)urea CAS Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-3-(3-pyridylmethyl)urea Formula: C17H20N4O5 MolecularWeight: 360.3645

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5/c1-25-15-8-13(14(21(23)24)9-16(15)26-2)5-7-19-17(22)20-11-12-4-3-6-18-10-12/h3-4,6,8-10H,5,7,11H2,1-2H3,(H2,19,20,22)