1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)urea

Systemtic Name: 1-[3-(4-bromanylpyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)urea Openeye Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)urea CAS Name: 1-[3-(4-bromo-1-pyrazolyl)propyl]-3-(2-methoxy-4-nitrophenyl)urea IUPAC Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2-methoxy-4-nitrophenyl)urea Traditional Name: 1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2-methoxy-4-nitro-phenyl)urea Formula: C14H16BrN5O4 MolecularWeight: 398.21194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCCN2C=C(C=N2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCCN2C=C(C=N2)Br

InChI

InChI=1S/C14H16BrN5O4/c1-24-13-7-11(20(22)23)3-4-12(13)18-14(21)16-5-2-6-19-9-10(15)8-17-19/h3-4,7-9H,2,5-6H2,1H3,(H2,16,18,21)