2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-2-oxidanylidene-4,5-dihydro-3H-azepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-2-oxidanylidene-4,5-dihydro-3H-azepin-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)-4-methyl-2-oxo-4,5-dihydro-3H-azepin-1-yl]acetic acid CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-4-methyl-2-oxo-4,5-dihydro-3H-azepin-1-yl]acetic acid IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)-4-methyl-2-oxo-4,5-dihydro-3H-azepin-1-yl]acetic acid Traditional Name: 2-(2-keto-4-methyl-3-phthalimido-4,5-dihydro-3H-azepin-1-yl)acetic acid Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC=CN(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

Isomeric SMILES

CC1CC=CN(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

InChI

InChI=1S/C17H16N2O5/c1-10-5-4-8-18(9-13(20)21)17(24)14(10)19-15(22)11-6-2-3-7-12(11)16(19)23/h2-4,6-8,10,14H,5,9H2,1H3,(H,20,21)