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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-3-carboxamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-3-carboxamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-methylpyrazole-3-carboxamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)-1-methyl-pyrazole-3-carboxamide Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC2=NC3=C(C=C(C=C3S2)[N+](=O)[O-])OC

InChI

InChI=1S/C13H11N5O4S/c1-17-4-3-8(16-17)12(19)15-13-14-11-9(22-2)5-7(18(20)21)6-10(11)23-13/h3-6H,1-2H3,(H,14,15,19)