3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-nitrophenyl)methyleneamino]-1H-pyrazole-5-carboxamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(E)-(4-nitrobenzylidene)amino]-1H-pyrazole-5-carboxamide Formula: C18H13N5O5 MolecularWeight: 379.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H13N5O5/c24-18(22-19-9-11-1-4-13(5-2-11)23(25)26)15-8-14(20-21-15)12-3-6-16-17(7-12)28-10-27-16/h1-9H,10H2,(H,20,21)(H,22,24)/b19-9+