N-[3-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: N-[3-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: N-[3-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]phenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]phenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: N-[3-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C18H18BrN7O4 MolecularWeight: 476.28402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H18BrN7O4/c1-2-25-15(6-8-20-25)18(28)22-13-5-3-4-12(10-13)21-16(27)7-9-24-11-14(19)17(23-24)26(29)30/h3-6,8,10-11H,2,7,9H2,1H3,(H,21,27)(H,22,28)