1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC2=NC3=CC=CC=C3S2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O4S/c1-9-15(19(21)22)10(2)18(17-9)7-14(20)23-8-13-16-11-5-3-4-6-12(11)24-13/h3-6H,7-8H2,1-2H3