4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylbenzoic acid

Systemtic Name: 4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylbenzoic acid Openeye Name: 4-(2,5-dimethyl-4-nitro-pyrazol-3-yl)sulfanylbenzoic acid CAS Name: 4-[(2,5-dimethyl-4-nitro-3-pyrazolyl)thio]benzoic acid IUPAC Name: 4-(2,5-dimethyl-4-nitropyrazol-3-yl)sulfanylbenzoic acid Traditional Name: 4-[(2,5-dimethyl-4-nitro-pyrazol-3-yl)thio]benzoic acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])SC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C12H11N3O4S/c1-7-10(15(18)19)11(14(2)13-7)20-9-5-3-8(4-6-9)12(16)17/h3-6H,1-2H3,(H,16,17)