4-(4-methyl-1-oxidanylidene-phthalazin-2-yl)benzoate

Systemtic Name: 4-(4-methyl-1-oxidanylidene-phthalazin-2-yl)benzoate Openeye Name: 4-(4-methyl-1-oxo-phthalazin-2-yl)benzoate CAS Name: 4-(4-methyl-1-oxo-2-phthalazinyl)benzoate IUPAC Name: 4-(4-methyl-1-oxophthalazin-2-yl)benzoate Traditional Name: 4-(1-keto-4-methyl-phthalazin-2-yl)benzoate Formula: C16H11N2O3- MolecularWeight: 279.27014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H12N2O3/c1-10-13-4-2-3-5-14(13)15(19)18(17-10)12-8-6-11(7-9-12)16(20)21/h2-9H,1H3,(H,20,21)/p-1