N-[3-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[3-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[3-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[3-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C17H16BrN7O4 MolecularWeight: 462.25744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16BrN7O4/c1-23-7-5-14(21-23)17(27)20-12-4-2-3-11(9-12)19-15(26)6-8-24-10-13(18)16(22-24)25(28)29/h2-5,7,9-10H,6,8H2,1H3,(H,19,26)(H,20,27)