1-butyl-3-(2-methyl-4-nitro-phenyl)-1-phenyl-urea

Systemtic Name: 1-butyl-3-(2-methyl-4-nitro-phenyl)-1-phenyl-urea Openeye Name: 1-butyl-3-(2-methyl-4-nitro-phenyl)-1-phenyl-urea CAS Name: 1-butyl-3-(2-methyl-4-nitrophenyl)-1-phenylurea IUPAC Name: 1-butyl-3-(2-methyl-4-nitrophenyl)-1-phenylurea Traditional Name: 1-butyl-3-(2-methyl-4-nitro-phenyl)-1-phenyl-urea Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H21N3O3/c1-3-4-12-20(15-8-6-5-7-9-15)18(22)19-17-11-10-16(21(23)24)13-14(17)2/h5-11,13H,3-4,12H2,1-2H3,(H,19,22)