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

Systemtic Name: 5-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-3-carboxamide Openeye Name: 5-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1H-pyrazole-3-carboxamide Formula: C13H11N5O5 MolecularWeight: 317.25694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NN=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CC1=CC(=NN1)C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C13H11N5O5/c1-7-2-9(16-15-7)13(19)17-14-5-8-3-11-12(23-6-22-11)4-10(8)18(20)21/h2-5H,6H2,1H3,(H,15,16)(H,17,19)/b14-5+