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

Systemtic Name: 1-(2-ethoxy-2-oxidanylidene-ethyl)-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid Openeye Name: 1-(2-ethoxy-2-oxo-ethyl)-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid CAS Name: 1-(2-ethoxy-2-oxoethyl)-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid IUPAC Name: 1-(2-ethoxy-2-oxoethyl)-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-3-ethyl-6-methyl-4-(3-nitrophenyl)-4H-pyridazine-5-carboxylic acid Formula: C18H21N3O6 MolecularWeight: 375.37584

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)CC(=O)OCC

Isomeric SMILES

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)CC(=O)OCC

InChI

InChI=1S/C18H21N3O6/c1-4-14-17(12-7-6-8-13(9-12)21(25)26)16(18(23)24)11(3)20(19-14)10-15(22)27-5-2/h6-9,17H,4-5,10H2,1-3H3,(H,23,24)