2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propyl-pyrazole-3-carboxamide

Systemtic Name: 2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propyl-pyrazole-3-carboxamide Openeye Name: 2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N-propyl-pyrazole-3-carboxamide CAS Name: 2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propyl-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-N-propylpyrazole-3-carboxamide Traditional Name: 2-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-N-propyl-pyrazole-3-carboxamide Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=NN1C)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

CCCNC(=O)C1=C(C=NN1C)N=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H17N5O5/c1-3-4-17-16(22)15-11(8-19-20(15)2)18-7-10-5-13-14(26-9-25-13)6-12(10)21(23)24/h5-8H,3-4,9H2,1-2H3,(H,17,22)