N-[(E)-(4-nitro-3-oxidanyl-phenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide

Systemtic Name: N-[(E)-(4-nitro-3-oxidanyl-phenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide Openeye Name: N-[(E)-(3-hydroxy-4-nitro-phenyl)methyleneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide CAS Name: N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide IUPAC Name: N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-5,5-diphenyl-1,4-dihydropyrazole-3-carboxamide Traditional Name: N-[(E)-(3-hydroxy-4-nitro-benzylidene)amino]-5,5-diphenyl-2-pyrazoline-3-carboxamide Formula: C23H19N5O4 MolecularWeight: 429.42806

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NN=CC4=CC(=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C(=NNC1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N/N=C/C4=CC(=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C23H19N5O4/c29-21-13-16(11-12-20(21)28(31)32)15-24-26-22(30)19-14-23(27-25-19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,15,27,29H,14H2,(H,26,30)/b24-15+