4-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzoate

Systemtic Name: 4-(4-oxidanylidene-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzoate Openeye Name: 4-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzoate CAS Name: 4-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzoate IUPAC Name: 4-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzoate Traditional Name: 4-(4-keto-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)benzoate Formula: C15H13N2O3- MolecularWeight: 269.27532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=NNC2=O)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=NNC2=O)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H14N2O3/c18-14-12-4-2-1-3-11(12)13(16-17-14)9-5-7-10(8-6-9)15(19)20/h5-8H,1-4H2,(H,17,18)(H,19,20)/p-1