1-(3,5-dimethylphenyl)-3-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]urea

Systemtic Name: 1-(3,5-dimethylphenyl)-3-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]urea Openeye Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea CAS Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea IUPAC Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea Traditional Name: 1-(3,5-dimethylphenyl)-3-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]urea Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)NCC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)NC[C@H](COC2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C18H21N3O5/c1-12-7-13(2)9-14(8-12)20-18(23)19-10-16(22)11-26-17-5-3-15(4-6-17)21(24)25/h3-9,16,22H,10-11H2,1-2H3,(H2,19,20,23)/t16-/m1/s1