2-[(3-bromophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrazole-3-carboxamide CAS Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-pyrazolecarboxamide IUPAC Name: 2-[(3-bromophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]pyrazole-3-carboxamide Traditional Name: 2-(3-bromobenzyl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]pyrazole-3-carboxamide Formula: C19H14BrN5O5 MolecularWeight: 472.24896

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=CC=NN3CC4=CC(=CC=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CC=NN3CC4=CC(=CC=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H14BrN5O5/c20-14-3-1-2-12(6-14)10-24-15(4-5-22-24)19(26)23-21-9-13-7-17-18(30-11-29-17)8-16(13)25(27)28/h1-9H,10-11H2,(H,23,26)/b21-9+