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

Systemtic Name: 4-[6-azanyl-5-cyano-4-(4-hydroxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-5-cyano-4-(4-hydroxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-5-cyano-4-(4-hydroxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-5-cyano-4-(4-hydroxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-5-cyano-4-(4-hydroxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C21H16N4O4 MolecularWeight: 388.37614

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

InChI

InChI=1S/C21H16N4O4/c1-11-17-18(12-4-8-15(26)9-5-12)16(10-22)19(23)29-20(17)25(24-11)14-6-2-13(3-7-14)21(27)28/h2-9,18,26H,23H2,1H3,(H,27,28)