4-[1,4-bis(oxidanylidene)-6-phenyl-3H-phthalazin-2-yl]benzoic acid

Systemtic Name: 4-[1,4-bis(oxidanylidene)-6-phenyl-3H-phthalazin-2-yl]benzoic acid Openeye Name: 4-(1,4-dioxo-6-phenyl-3H-phthalazin-2-yl)benzoic acid CAS Name: 4-(1,4-dioxo-6-phenyl-3H-phthalazin-2-yl)benzoic acid IUPAC Name: 4-(1,4-dioxo-6-phenyl-3H-phthalazin-2-yl)benzoic acid Traditional Name: 4-(1,4-diketo-6-phenyl-3H-phthalazin-2-yl)benzoic acid Formula: C21H14N2O4 MolecularWeight: 358.34686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)N(NC3=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=O)N(NC3=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N2O4/c24-19-18-12-15(13-4-2-1-3-5-13)8-11-17(18)20(25)23(22-19)16-9-6-14(7-10-16)21(26)27/h1-12H,(H,22,24)(H,26,27)