3,5-dimethyl-4-nitro-1-[(2-phenylphenoxy)methyl]pyrazole

Systemtic Name: 3,5-dimethyl-4-nitro-1-[(2-phenylphenoxy)methyl]pyrazole Openeye Name: 3,5-dimethyl-4-nitro-1-[(2-phenylphenoxy)methyl]pyrazole CAS Name: 3,5-dimethyl-4-nitro-1-[(2-phenylphenoxy)methyl]pyrazole IUPAC Name: 3,5-dimethyl-4-nitro-1-[(2-phenylphenoxy)methyl]pyrazole Traditional Name: 3,5-dimethyl-4-nitro-1-[(2-phenylphenoxy)methyl]pyrazole Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1COC2=CC=CC=C2C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1COC2=CC=CC=C2C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3/c1-13-18(21(22)23)14(2)20(19-13)12-24-17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3