4-bromanyl-N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-bromanyl-N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-[(4-nitrophenyl)methyl]-N-[(E)-o-tolylmethyleneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-N-[(E)-(2-methylphenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide Traditional Name: 4-bromo-N-[(E)-(2-methylbenzylidene)amino]-1-(4-nitrobenzyl)pyrazole-3-carboxamide Formula: C19H16BrN5O3 MolecularWeight: 442.26604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1/C=N/NC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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