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

Systemtic Name: 3-ethyl-6-methyl-4-(2-nitrophenyl)-1-pyridin-2-ylcarbonyl-4H-pyridazine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-4-(2-nitrophenyl)-1-(pyridine-2-carbonyl)-4H-pyridazine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-4-(2-nitrophenyl)-1-[oxo(2-pyridinyl)methyl]-4H-pyridazine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-4-(2-nitrophenyl)-1-(pyridine-2-carbonyl)-4H-pyridazine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-4-(2-nitrophenyl)-1-picolinoyl-4H-pyridazine-5-carboxylic acid Formula: C20H18N4O5 MolecularWeight: 394.38072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C)C(=O)C3=CC=CC=N3

Isomeric SMILES

CCC1=NN(C(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)O)C)C(=O)C3=CC=CC=N3

InChI

InChI=1S/C20H18N4O5/c1-3-14-18(13-8-4-5-10-16(13)24(28)29)17(20(26)27)12(2)23(22-14)19(25)15-9-6-7-11-21-15/h4-11,18H,3H2,1-2H3,(H,26,27)