1,3-bis[1-(4-nitrophenyl)-5-phenyl-1,2,3-triazol-4-yl]urea

Systemtic Name: 1,3-bis[1-(4-nitrophenyl)-5-phenyl-1,2,3-triazol-4-yl]urea Openeye Name: 1,3-bis[1-(4-nitrophenyl)-5-phenyl-triazol-4-yl]urea CAS Name: 1,3-bis[1-(4-nitrophenyl)-5-phenyl-4-triazolyl]urea IUPAC Name: 1,3-bis[1-(4-nitrophenyl)-5-phenyltriazol-4-yl]urea Traditional Name: 1,3-bis[1-(4-nitrophenyl)-5-phenyl-triazol-4-yl]urea Formula: C29H20N10O5 MolecularWeight: 588.5331

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)NC4=C(N(N=N4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])NC(=O)NC4=C(N(N=N4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6

InChI

InChI=1S/C29H20N10O5/c40-29(30-27-25(19-7-3-1-4-8-19)36(34-32-27)21-11-15-23(16-12-21)38(41)42)31-28-26(20-9-5-2-6-10-20)37(35-33-28)22-13-17-24(18-14-22)39(43)44/h1-18H,(H2,30,31,40)