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

Systemtic Name: 4-[6-azanyl-5-cyano-4-(2,3-dimethoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(2,3-dimethoxyphenyl)-3-methyl-4H-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=C(C(=CC=C3)OC)OC)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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