1-(1-ethoxy-1-oxidanylidene-butan-2-yl)-6-methyl-4-(3-nitrophenyl)-3-thiophen-2-yl-4H-pyridazine-5-carboxylic acid

Systemtic Name: 1-(1-ethoxy-1-oxidanylidene-butan-2-yl)-6-methyl-4-(3-nitrophenyl)-3-thiophen-2-yl-4H-pyridazine-5-carboxylic acid Openeye Name: 1-(1-ethoxycarbonylpropyl)-6-methyl-4-(3-nitrophenyl)-3-(2-thienyl)-4H-pyridazine-5-carboxylic acid CAS Name: 1-(1-ethoxy-1-oxobutan-2-yl)-6-methyl-4-(3-nitrophenyl)-3-thiophen-2-yl-4H-pyridazine-5-carboxylic acid IUPAC Name: 1-(1-ethoxy-1-oxobutan-2-yl)-6-methyl-4-(3-nitrophenyl)-3-thiophen-2-yl-4H-pyridazine-5-carboxylic acid Traditional Name: 1-(1-carbethoxypropyl)-6-methyl-4-(3-nitrophenyl)-3-(2-thienyl)-4H-pyridazine-5-carboxylic acid Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C(=C(C(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCC(C(=O)OCC)N1C(=C(C(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C22H23N3O6S/c1-4-16(22(28)31-5-2)24-13(3)18(21(26)27)19(20(23-24)17-10-7-11-32-17)14-8-6-9-15(12-14)25(29)30/h6-12,16,19H,4-5H2,1-3H3,(H,26,27)