1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]urea

Systemtic Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]urea Openeye Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]urea CAS Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]urea IUPAC Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]urea Traditional Name: 1,1-dimethyl-3-[3-nitro-4-(2-phenylpropoxy)phenyl]urea Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=C(C=C(C=C1)NC(=O)N(C)C)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(COC1=C(C=C(C=C1)NC(=O)N(C)C)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C18H21N3O4/c1-13(14-7-5-4-6-8-14)12-25-17-10-9-15(11-16(17)21(23)24)19-18(22)20(2)3/h4-11,13H,12H2,1-3H3,(H,19,22)