4-[2-methyl-4-(2-oxidanylidenepyrazin-1-yl)phenyl]benzoic acid

Systemtic Name: 4-[2-methyl-4-(2-oxidanylidenepyrazin-1-yl)phenyl]benzoic acid Openeye Name: 4-[2-methyl-4-(2-oxopyrazin-1-yl)phenyl]benzoic acid CAS Name: 4-[2-methyl-4-(2-oxo-1-pyrazinyl)phenyl]benzoic acid IUPAC Name: 4-[2-methyl-4-(2-oxopyrazin-1-yl)phenyl]benzoic acid Traditional Name: 4-[4-(2-ketopyrazin-1-yl)-2-methyl-phenyl]benzoic acid Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C=CN=CC2=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C=CN=CC2=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H14N2O3/c1-12-10-15(20-9-8-19-11-17(20)21)6-7-16(12)13-2-4-14(5-3-13)18(22)23/h2-11H,1H3,(H,22,23)