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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)NC1=CC(=C(C=C1)OCCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4/c1-20(2)18(22)19-15-10-11-17(16(13-15)21(23)24)25-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,19,22)