1-(2,2-dimethoxyethyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-methyl-urea

Systemtic Name: 1-(2,2-dimethoxyethyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-methyl-urea Openeye Name: 1-(2,2-dimethoxyethyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-methyl-urea CAS Name: 1-(2,2-dimethoxyethyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-methylurea IUPAC Name: 1-(2,2-dimethoxyethyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-methylurea Traditional Name: 1-(2,2-dimethoxyethyl)-3-[4-(3,5-dinitrophenoxy)phenyl]-1-methyl-urea Formula: C18H20N4O8 MolecularWeight: 420.3734

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(OC)OC)C(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CC(OC)OC)C(=O)NC1=CC=C(C=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O8/c1-20(11-17(28-2)29-3)18(23)19-12-4-6-15(7-5-12)30-16-9-13(21(24)25)8-14(10-16)22(26)27/h4-10,17H,11H2,1-3H3,(H,19,23)