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

Systemtic Name: 4-[6-azanyl-5-cyano-4-(4-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(4-methoxyphenyl)-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C22H18N4O4 MolecularWeight: 402.40272

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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)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)OC)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H18N4O4/c1-12-18-19(13-5-9-16(29-2)10-6-13)17(11-23)20(24)30-21(18)26(25-12)15-7-3-14(4-8-15)22(27)28/h3-10,20H,24H2,1-2H3,(H,27,28)