(6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)-5-nitro-2H-thiophene-3-carboxylate

Systemtic Name: (6-chloranylpyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)-5-nitro-2H-thiophene-3-carboxylate Openeye Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropyl-6-methyl-phenoxy)-5-nitro-2H-thiophene-3-carboxylate CAS Name: 3-(2-cyclopropyl-6-methylphenoxy)-5-nitro-2H-thiophene-3-carboxylic acid (6-chloro-4-pyridazinyl) ester IUPAC Name: (6-chloropyridazin-4-yl) 3-(2-cyclopropyl-6-methylphenoxy)-5-nitro-2H-thiophene-3-carboxylate Traditional Name: 3-(2-cyclopropyl-6-methyl-phenoxy)-5-nitro-2H-thiophene-3-carboxylic acid (6-chloropyridazin-4-yl) ester Formula: C19H16ClN3O5S MolecularWeight: 433.86544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2(CSC(=C2)[N+](=O)[O-])C(=O)OC3=CC(=NN=C3)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2(CSC(=C2)[N+](=O)[O-])C(=O)OC3=CC(=NN=C3)Cl)C4CC4

InChI

InChI=1S/C19H16ClN3O5S/c1-11-3-2-4-14(12-5-6-12)17(11)28-19(8-16(23(25)26)29-10-19)18(24)27-13-7-15(20)22-21-9-13/h2-4,7-9,12H,5-6,10H2,1H3