N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-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)C=NNC(=O)C3=CC(=NN3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)C3=CC(=NN3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

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