3-[5-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]benzoic acid

Systemtic Name: 3-[5-(6-azanyl-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]benzoic acid Openeye Name: 3-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-furyl]benzoic acid CAS Name: 3-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-furanyl]benzoic acid IUPAC Name: 3-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]benzoic acid Traditional Name: 3-[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-furyl]benzoic acid Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C19H14N4O4/c1-9-15-16(12(8-20)17(21)27-18(15)23-22-9)14-6-5-13(26-14)10-3-2-4-11(7-10)19(24)25/h2-7,16H,21H2,1H3,(H,22,23)(H,24,25)