2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxidanylidene-1H-pyrazol-4-yl]ethanoic acid Openeye Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid CAS Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid IUPAC Name: 2-[5-methyl-2-(6-nitro-1,3-benzothiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]acetic acid Traditional Name: 2-[5-keto-3-methyl-1-(6-nitro-1,3-benzothiazol-2-yl)-3-pyrazolin-4-yl]acetic acid Formula: C13H10N4O5S MolecularWeight: 334.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H10N4O5S/c1-6-8(5-11(18)19)12(20)16(15-6)13-14-9-3-2-7(17(21)22)4-10(9)23-13/h2-4,15H,5H2,1H3,(H,18,19)