4-[[5-ethanoyl-2-ethyl-6-(3-nitrophenyl)-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-ethanoyl-2-ethyl-6-(3-nitrophenyl)-3-oxidanylidene-pyridazin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-acetyl-2-ethyl-6-(3-nitrophenyl)-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 4-[[5-acetyl-2-ethyl-6-(3-nitrophenyl)-3-oxo-4-pyridazinyl]amino]benzoic acid IUPAC Name: 4-[[5-acetyl-2-ethyl-6-(3-nitrophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-acetyl-2-ethyl-3-keto-6-(3-nitrophenyl)pyridazin-4-yl]amino]benzoic acid Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C(=C(C(=N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H18N4O6/c1-3-24-20(27)19(22-15-9-7-13(8-10-15)21(28)29)17(12(2)26)18(23-24)14-5-4-6-16(11-14)25(30)31/h4-11,22H,3H2,1-2H3,(H,28,29)