1-methyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Openeye Name: 1-methyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide CAS Name: 1-methyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Traditional Name: 1-methyl-4-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)pyrazole-3-carboxamide Formula: C12H8N6O5S MolecularWeight: 348.29412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H8N6O5S/c1-16-5-8(18(22)23)10(15-16)11(19)14-12-13-7-3-2-6(17(20)21)4-9(7)24-12/h2-5H,1H3,(H,13,14,19)