5-tert-butyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[(E)-(4-nitrophenyl)methyleneamino]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-[(E)-(4-nitrophenyl)methylideneamino]-2-phenylpyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[(E)-(4-nitrobenzylidene)amino]-2-phenyl-pyrazole-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O3/c1-21(2,3)19-13-18(25(24-19)16-7-5-4-6-8-16)20(27)23-22-14-15-9-11-17(12-10-15)26(28)29/h4-14H,1-3H3,(H,23,27)/b22-14+