1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanyl-5-oxidanylidene-pentanoyl]-1,2-diazinane-3-carboxylic acid

Systemtic Name: 1-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanyl-5-oxidanylidene-pentanoyl]-1,2-diazinane-3-carboxylic acid Openeye Name: 1-[4-(1,3-dioxoisoindolin-2-yl)-5-hydroxy-5-oxo-pentanoyl]hexahydropyridazine-3-carboxylic acid CAS Name: 1-[4-(1,3-dioxo-2-isoindolyl)-5-hydroxy-1,5-dioxopentyl]-3-diazinanecarboxylic acid IUPAC Name: 1-[4-(1,3-dioxoisoindol-2-yl)-5-hydroxy-5-oxopentanoyl]diazinane-3-carboxylic acid Traditional Name: 1-(5-hydroxy-5-keto-4-phthalimido-pentanoyl)hexahydropyridazine-3-carboxylic acid Formula: C18H19N3O7 MolecularWeight: 389.35936

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NN(C1)C(=O)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

C1CC(NN(C1)C(=O)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C18H19N3O7/c22-14(20-9-3-6-12(19-20)17(25)26)8-7-13(18(27)28)21-15(23)10-4-1-2-5-11(10)16(21)24/h1-2,4-5,12-13,19H,3,6-9H2,(H,25,26)(H,27,28)