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

Systemtic Name: 1-butyl-3-(4-methyl-3-nitro-phenyl)urea Openeye Name: 1-butyl-3-(4-methyl-3-nitro-phenyl)urea CAS Name: 1-butyl-3-(4-methyl-3-nitrophenyl)urea IUPAC Name: 1-butyl-3-(4-methyl-3-nitrophenyl)urea Traditional Name: 1-butyl-3-(4-methyl-3-nitro-phenyl)urea Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)C)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c1-3-4-7-13-12(16)14-10-6-5-9(2)11(8-10)15(17)18/h5-6,8H,3-4,7H2,1-2H3,(H2,13,14,16)