1-methyl-3-(3-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-methyl-3-(3-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-methyl-3-(3-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-methyl-3-(3-nitrophenyl)-1-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-methyl-3-(3-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1-methyl-3-(3-nitrophenyl)-1-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-21(18(24)20-15-6-5-9-17(10-15)23(25)26)12-14-11-19-22(13-14)16-7-3-2-4-8-16/h2-11,13H,12H2,1H3,(H,20,24)