2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanyl-4-oxidanylidene-butanoyl]-1,2-diazinane-3-carboxylate

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanyl-4-oxidanylidene-butanoyl]-1,2-diazinane-3-carboxylate Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)-4-hydroxy-4-oxo-butanoyl]hexahydropyridazine-3-carboxylate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)-4-hydroxy-1,4-dioxobutyl]-3-diazinanecarboxylate IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)-4-hydroxy-4-oxobutanoyl]diazinane-3-carboxylate Traditional Name: 2-(4-hydroxy-4-keto-2-phthalimido-butanoyl)hexahydropyridazine-3-carboxylate Formula: C17H16N3O7- MolecularWeight: 374.32484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(NC1)C(=O)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)C(=O)[O-]

Isomeric SMILES

C1CC(N(NC1)C(=O)C(CC(=O)O)N2C(=O)C3=CC=CC=C3C2=O)C(=O)[O-]

InChI

InChI=1S/C17H17N3O7/c21-13(22)8-12(16(25)20-11(17(26)27)6-3-7-18-20)19-14(23)9-4-1-2-5-10(9)15(19)24/h1-2,4-5,11-12,18H,3,6-8H2,(H,21,22)(H,26,27)/p-1