methanol; N-[(E)-(3-nitrophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide

Systemtic Name: methanol; N-[(E)-(3-nitrophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Openeye Name: methanol; N-[(E)-(3-nitrophenyl)methyleneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide CAS Name: methanol; N-[(E)-(3-nitrophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide IUPAC Name: methanol; N-[(E)-(3-nitrophenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Traditional Name: methanol; N-[(E)-(3-nitrobenzylidene)amino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide Formula: C23H20N6O4 MolecularWeight: 444.4427

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CO.C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)NN=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CO.C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)N/N=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3.CH4O/c29-22(25-23-15-16-8-7-13-19(14-16)28(30)31)20-24-21(17-9-3-1-4-10-17)27(26-20)18-11-5-2-6-12-18;1-2/h1-15H,(H,25,29);2H,1H3/b23-15+;