3-[5-[(4-acetyloxyphenyl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[5-[(4-acetyloxyphenyl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]propanoic acid Openeye Name: 3-[5-[(4-acetoxybenzoyl)amino]-1,3-dioxo-isoindolin-2-yl]propanoic acid CAS Name: 3-[5-[[(4-acetyloxyphenyl)-oxomethyl]amino]-1,3-dioxo-2-isoindolyl]propanoic acid IUPAC Name: 3-[5-[(4-acetyloxybenzoyl)amino]-1,3-dioxoisoindol-2-yl]propanoic acid Traditional Name: 3-[5-[(4-acetoxybenzoyl)amino]-1,3-diketo-isoindolin-2-yl]propionic acid Formula: C20H16N2O7 MolecularWeight: 396.35024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O

InChI

InChI=1S/C20H16N2O7/c1-11(23)29-14-5-2-12(3-6-14)18(26)21-13-4-7-15-16(10-13)20(28)22(19(15)27)9-8-17(24)25/h2-7,10H,8-9H2,1H3,(H,21,26)(H,24,25)