4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(6-nitroindazol-1-yl)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(6-nitro-1-indazolyl)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(6-nitroindazol-1-yl)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(6-nitroindazol-1-yl)methyl]thiazole-2-carboxylic acid Formula: C12H8N4O4S MolecularWeight: 304.28132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])N(N=C2)CC3=CSC(=N3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])N(N=C2)CC3=CSC(=N3)C(=O)O

InChI

InChI=1S/C12H8N4O4S/c17-12(18)11-14-8(6-21-11)5-15-10-3-9(16(19)20)2-1-7(10)4-13-15/h1-4,6H,5H2,(H,17,18)