1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Openeye Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide CAS Name: 1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-N-(4-ethoxy-2-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(4-ethoxy-2-nitro-phenyl)pyrazole-3-carboxamide Formula: C18H19BrN6O4 MolecularWeight: 463.28526

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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)C)Br)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O4/c1-4-29-13-5-6-14(16(9-13)25(27)28)20-18(26)15-7-8-23(22-15)10-24-12(3)17(19)11(2)21-24/h5-9H,4,10H2,1-3H3,(H,20,26)