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

Systemtic Name: 4-(6-azanyl-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid Openeye Name: 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid CAS Name: 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid IUPAC Name: 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid Traditional Name: 4-(6-amino-5-cyano-3-methyl-4-phenyl-4H-pyrano[2,3-c]pyrazol-1-yl)benzoic acid Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O3/c1-12-17-18(13-5-3-2-4-6-13)16(11-22)19(23)28-20(17)25(24-12)15-9-7-14(8-10-15)21(26)27/h2-10,18H,23H2,1H3,(H,26,27)