1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C13H11N5O6 MolecularWeight: 333.25634

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C(=N3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CN3C=C(C(=N3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H11N5O6/c14-13(20)12-8(18(21)22)4-17(16-12)5-11(19)15-7-1-2-9-10(3-7)24-6-23-9/h1-4H,5-6H2,(H2,14,20)(H,15,19)