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

Systemtic Name: 4-bromanyl-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylethylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylethylideneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylethylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-1-phenylethylideneamino]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-nitrobenzyl)-N-[(E)-1-phenylethylideneamino]pyrazole-3-carboxamide Formula: C19H16BrN5O3 MolecularWeight: 442.26604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O3/c1-13(15-5-3-2-4-6-15)21-22-19(26)18-17(20)12-24(23-18)11-14-7-9-16(10-8-14)25(27)28/h2-10,12H,11H2,1H3,(H,22,26)/b21-13+