N-(2-methyl-3-nitro-phenyl)-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2-methyl-3-nitro-phenyl)pyrazole-4-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-methyl-3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-methyl-3-nitro-phenyl)pyrazole-4-carboxamide Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H16N4O3/c1-13-16(8-5-9-17(13)22(24)25)20-18(23)15-10-19-21(12-15)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,20,23)