2-(methylamino)-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

Systemtic Name: 2-(methylamino)-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Openeye Name: 2-(methylamino)-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide CAS Name: 2-(methylamino)-5-nitro-N-[(1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-(methylamino)-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-(methylamino)-5-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide Formula: C18H17N5O3 MolecularWeight: 351.35928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

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