4-[6-azanyl-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[6-azanyl-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(2-fluorophenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C21H15FN4O3 MolecularWeight: 390.367203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NN(C2=C1C(C(=C(O2)N)C#N)C3=CC=CC=C3F)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H15FN4O3/c1-11-17-18(14-4-2-3-5-16(14)22)15(10-23)19(24)29-20(17)26(25-11)13-8-6-12(7-9-13)21(27)28/h2-9,18H,24H2,1H3,(H,27,28)