N-(4-cyano-2-phenyl-pyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(4-cyano-2-phenyl-3-pyrazolyl)-1-[(2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-cyano-2-phenylpyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-cyano-2-phenyl-pyrazol-3-yl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide Formula: C21H15N7O4 MolecularWeight: 429.3883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C#N)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H15N7O4/c22-12-15-13-23-27(16-6-2-1-3-7-16)20(15)24-21(29)17-10-11-26(25-17)14-32-19-9-5-4-8-18(19)28(30)31/h1-11,13H,14H2,(H,24,29)