1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methylideneamino]-5-(phenylazanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methylideneamino]-5-(phenylazanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]phenyl]methyleneamino]triazole-4-carboxamide CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]-4-triazolecarboxamide IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(anilinomethyl)-N-[(E)-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]methylideneamino]triazole-4-carboxamide Traditional Name: 1-(4-aminofurazan-3-yl)-5-(anilinomethyl)-N-[(E)-[4-methoxy-3-[(3-methyl-4-nitro-phenoxy)methyl]benzylidene]amino]triazole-4-carboxamide Formula: C28H26N10O6 MolecularWeight: 598.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)CNC5=CC=CC=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)/C=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)CNC5=CC=CC=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H26N10O6/c1-17-12-21(9-10-22(17)38(40)41)43-16-19-13-18(8-11-24(19)42-2)14-31-33-28(39)25-23(15-30-20-6-4-3-5-7-20)37(36-32-25)27-26(29)34-44-35-27/h3-14,30H,15-16H2,1-2H3,(H2,29,34)(H,33,39)/b31-14+