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

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

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

InChI

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