4-(7-ethoxycarbonyl-6,8-dimethyl-1-oxidanylidene-phthalazin-2-yl)benzoic acid

Systemtic Name: 4-(7-ethoxycarbonyl-6,8-dimethyl-1-oxidanylidene-phthalazin-2-yl)benzoic acid Openeye Name: 4-(7-ethoxycarbonyl-6,8-dimethyl-1-oxo-phthalazin-2-yl)benzoic acid CAS Name: 4-(7-ethoxycarbonyl-6,8-dimethyl-1-oxo-2-phthalazinyl)benzoic acid IUPAC Name: 4-(7-ethoxycarbonyl-6,8-dimethyl-1-oxophthalazin-2-yl)benzoic acid Traditional Name: 4-(7-carbethoxy-1-keto-6,8-dimethyl-phthalazin-2-yl)benzoic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C=NN(C(=O)C2=C1C)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C=C2C=NN(C(=O)C2=C1C)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H18N2O5/c1-4-27-20(26)16-11(2)9-14-10-21-22(18(23)17(14)12(16)3)15-7-5-13(6-8-15)19(24)25/h5-10H,4H2,1-3H3,(H,24,25)