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

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1-methyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-1-methyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-1-methyl-4-nitro-pyrazole-3-carboxamide Formula: C13H10BrN5O5 MolecularWeight: 396.153

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C13H10BrN5O5/c1-18-5-9(19(21)22)12(17-18)13(20)16-15-4-7-2-10-11(3-8(7)14)24-6-23-10/h2-5H,6H2,1H3,(H,16,20)/b15-4+