N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(2-nitrophenoxy)methyl]-N-[1-(o-tolylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide CAS Name: N-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-[1-(2-methylbenzyl)pyrazol-4-yl]-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C22H20N6O4 MolecularWeight: 432.432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4/c1-16-6-2-3-7-17(16)13-27-14-18(12-23-27)24-22(29)19-10-11-26(25-19)15-32-21-9-5-4-8-20(21)28(30)31/h2-12,14H,13,15H2,1H3,(H,24,29)