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

Systemtic Name: 4-[6-azanyl-5-cyano-4-(3-methoxy-4-oxidanyl-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5/c1-11-18-19(13-5-8-16(27)17(9-13)30-2)15(10-23)20(24)31-21(18)26(25-11)14-6-3-12(4-7-14)22(28)29/h3-9,20,27H,24H2,1-2H3,(H,28,29)