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

Systemtic Name: 4-[6-azanyl-4-(4-bromophenyl)-5-cyano-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Openeye Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid CAS Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid IUPAC Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Traditional Name: 4-[6-amino-4-(4-bromophenyl)-5-cyano-3-methyl-6H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid Formula: C21H15BrN4O3 MolecularWeight: 451.2728

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

InChI

InChI=1S/C21H15BrN4O3/c1-11-17-18(12-2-6-14(22)7-3-12)16(10-23)19(24)29-20(17)26(25-11)15-8-4-13(5-9-15)21(27)28/h2-9,19H,24H2,1H3,(H,27,28)