4-bromanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C20H15BrN6O3 MolecularWeight: 467.2755

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN6O3/c21-16-18(23-24-19(16)27(29)30)20(28)22-11-14-12-26(15-9-5-2-6-10-15)25-17(14)13-7-3-1-4-8-13/h1-10,12H,11H2,(H,22,28)(H,23,24)