3-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-propanoyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid

Systemtic Name: 3-[2-cyano-3-[(4-fluorophenyl)amino]-3-oxidanylidene-propanoyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid Openeye Name: 3-[2-cyano-3-(4-fluoroanilino)-3-oxo-propanoyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid CAS Name: 3-[2-cyano-3-(4-fluoroanilino)-1,3-dioxopropyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid IUPAC Name: 3-[2-cyano-3-(4-fluoroanilino)-3-oxopropanoyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid Traditional Name: 3-[2-cyano-3-(4-fluoroanilino)-3-keto-propanoyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-7-carboxylic acid Formula: C27H17FN4O4 MolecularWeight: 480.446683

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)O)C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)O)C3=C1C(=NN3C4=CC=CC=C4)C(=O)C(C#N)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C27H17FN4O4/c28-17-8-10-18(11-9-17)30-26(34)22(14-29)25(33)23-21-12-15-6-7-16(27(35)36)13-20(15)24(21)32(31-23)19-4-2-1-3-5-19/h1-11,13,22H,12H2,(H,30,34)(H,35,36)