2-[(4-oxidanidyl-1-oxidanylidene-2H-phthalazin-6-yl)carbamoyl]benzoate

Systemtic Name: 2-[(4-oxidanidyl-1-oxidanylidene-2H-phthalazin-6-yl)carbamoyl]benzoate Openeye Name: 2-[(4-oxido-1-oxo-2H-phthalazin-6-yl)carbamoyl]benzoate CAS Name: 2-[[(4-oxido-1-oxo-2H-phthalazin-6-yl)amino]-oxomethyl]benzoate IUPAC Name: 2-[(4-oxido-1-oxo-2H-phthalazin-6-yl)carbamoyl]benzoate Traditional Name: 2-[(1-keto-4-oxido-2H-phthalazin-6-yl)carbamoyl]benzoate Formula: C16H9N3O5-2 MolecularWeight: 323.25976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NN=C3[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NN=C3[O-])C(=O)[O-]

InChI

InChI=1S/C16H11N3O5/c20-13(9-3-1-2-4-11(9)16(23)24)17-8-5-6-10-12(7-8)15(22)19-18-14(10)21/h1-7H,(H,17,20)(H,18,21)(H,19,22)(H,23,24)/p-2