4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylpropylideneamino]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylpropylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylpropylideneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylpropylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylpropylideneamino]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-nitrobenzyl)-N-[(E)-1-phenylpropylideneamino]pyrazole-3-carboxamide Formula: C20H18BrN5O3 MolecularWeight: 456.29262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=NN(C=C1Br)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC/C(=N\NC(=O)C1=NN(C=C1Br)CC2=CC=C(C=C2)[N+](=O)[O-])/C3=CC=CC=C3

InChI

InChI=1S/C20H18BrN5O3/c1-2-18(15-6-4-3-5-7-15)22-23-20(27)19-17(21)13-25(24-19)12-14-8-10-16(11-9-14)26(28)29/h3-11,13H,2,12H2,1H3,(H,23,27)/b22-18+