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

Systemtic Name: 4-[6-azanyl-5-cyano-4-(3-ethoxy-4-oxidanyl-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(3-ethoxy-4-hydroxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C23H20N4O5 MolecularWeight: 432.4287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=C(C(OC3=C2C(=NN3C4=CC=C(C=C4)C(=O)O)C)N)C#N)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=C(C(OC3=C2C(=NN3C4=CC=C(C=C4)C(=O)O)C)N)C#N)O

InChI

InChI=1S/C23H20N4O5/c1-3-31-18-10-14(6-9-17(18)28)20-16(11-24)21(25)32-22-19(20)12(2)26-27(22)15-7-4-13(5-8-15)23(29)30/h4-10,21,28H,3,25H2,1-2H3,(H,29,30)