1-[(4-bromanylpyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanylpyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-1-pyrazolyl)methyl]-N-(4-ethoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromopyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C16H15BrN6O4 MolecularWeight: 435.2321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN6O4/c1-2-27-12-3-4-13(15(7-12)23(25)26)19-16(24)14-5-6-21(20-14)10-22-9-11(17)8-18-22/h3-9H,2,10H2,1H3,(H,19,24)