[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H12BrN3O5S MolecularWeight: 402.22048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=C(S2)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)C2=CC=C(S2)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN3O5S/c1-7-13(17(20)21)8(2)16(15-7)5-12(19)22-6-9(18)10-3-4-11(14)23-10/h3-4H,5-6H2,1-2H3