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

Systemtic Name: 4-bromanyl-1-[(4-chlorophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 4-bromo-1-[(4-chlorophenyl)methyl]-N-[(E)-(3-nitrophenyl)methyleneamino]pyrazole-3-carboxamide CAS Name: 4-bromo-1-[(4-chlorophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 4-bromo-1-[(4-chlorophenyl)methyl]-N-[(E)-(3-nitrophenyl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 4-bromo-1-(4-chlorobenzyl)-N-[(E)-(3-nitrobenzylidene)amino]pyrazole-3-carboxamide Formula: C18H13BrClN5O3 MolecularWeight: 462.68452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)C2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrClN5O3/c19-16-11-24(10-12-4-6-14(20)7-5-12)23-17(16)18(26)22-21-9-13-2-1-3-15(8-13)25(27)28/h1-9,11H,10H2,(H,22,26)/b21-9+