5-[5-[2-(3-azanyl-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyano-ethenyl]furan-2-yl]-2-methyl-benzoic acid

Systemtic Name: 5-[5-[2-(3-azanyl-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyano-ethenyl]furan-2-yl]-2-methyl-benzoic acid Openeye Name: 5-[5-[2-(3-amino-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyano-vinyl]-2-furyl]-2-methyl-benzoic acid CAS Name: 5-[5-[2-(3-amino-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyanoethenyl]-2-furanyl]-2-methylbenzoic acid IUPAC Name: 5-[5-[2-(3-amino-4-cyano-2-phenyl-3,4-dihydropyrazol-5-yl)-2-cyanoethenyl]furan-2-yl]-2-methylbenzoic acid Traditional Name: 5-[5-[2-(5-amino-4-cyano-1-phenyl-2-pyrazolin-3-yl)-2-cyano-vinyl]-2-furyl]-2-methyl-benzoic acid Formula: C25H19N5O3 MolecularWeight: 437.45006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NN(C(C3C#N)N)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NN(C(C3C#N)N)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H19N5O3/c1-15-7-8-16(12-20(15)25(31)32)22-10-9-19(33-22)11-17(13-26)23-21(14-27)24(28)30(29-23)18-5-3-2-4-6-18/h2-12,21,24H,28H2,1H3,(H,31,32)