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

Systemtic Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(2-phenylethanoyl)-4H-pyridazine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(2-phenylacetyl)-4H-pyridazine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(1-oxo-2-phenylethyl)-4H-pyridazine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(2-phenylacetyl)-4H-pyridazine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(2-phenylacetyl)-4H-pyridazine-5-carboxylic acid Formula: C22H21N3O5 MolecularWeight: 407.41924

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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)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O5/c1-3-18-21(16-10-7-11-17(13-16)25(29)30)20(22(27)28)14(2)24(23-18)19(26)12-15-8-5-4-6-9-15/h4-11,13,21H,3,12H2,1-2H3,(H,27,28)