N-[5-[[(4-nitrophenyl)amino]methyl]-4-phenyl-1,2,3-triazol-1-yl]benzamide

Systemtic Name: N-[5-[[(4-nitrophenyl)amino]methyl]-4-phenyl-1,2,3-triazol-1-yl]benzamide Openeye Name: N-[5-[(4-nitroanilino)methyl]-4-phenyl-triazol-1-yl]benzamide CAS Name: N-[5-[(4-nitroanilino)methyl]-4-phenyl-1-triazolyl]benzamide IUPAC Name: N-[5-[(4-nitroanilino)methyl]-4-phenyltriazol-1-yl]benzamide Traditional Name: N-[5-[(4-nitroanilino)methyl]-4-phenyl-triazol-1-yl]benzamide Formula: C22H18N6O3 MolecularWeight: 414.41672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(N=N2)NC(=O)C3=CC=CC=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(N=N2)NC(=O)C3=CC=CC=C3)CNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O3/c29-22(17-9-5-2-6-10-17)25-27-20(21(24-26-27)16-7-3-1-4-8-16)15-23-18-11-13-19(14-12-18)28(30)31/h1-14,23H,15H2,(H,25,29)