2-[1-(2,4-dinitrophenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxidanylidene-ethanamide

Systemtic Name: 2-[1-(2,4-dinitrophenyl)-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxidanylidene-ethanamide Openeye Name: 2-[1-(2,4-dinitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-acetamide CAS Name: 2-[1-(2,4-dinitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide IUPAC Name: 2-[1-(2,4-dinitrophenyl)-5-oxo-3-phenyl-4H-pyrazol-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide Traditional Name: 2-[1-(2,4-dinitrophenyl)-5-keto-3-phenyl-2-pyrazolin-4-yl]-2-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C25H16N6O8S MolecularWeight: 560.49494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C3C(=NN(C3=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C3C(=NN(C3=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H16N6O8S/c1-39-15-8-9-16-19(12-15)40-25(26-16)27-23(33)22(32)20-21(13-5-3-2-4-6-13)28-29(24(20)34)17-10-7-14(30(35)36)11-18(17)31(37)38/h2-12,20H,1H3,(H,26,27,33)