2-(3-acetamido-5-carboxy-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-acetamido-5-carboxy-phenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-acetamido-5-carboxy-phenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-(3-acetamido-5-carboxyphenyl)-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-acetamido-5-carboxyphenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-(3-acetamido-5-carboxy-phenyl)-1,3-diketo-isoindoline-5-carboxylic acid Formula: C18H12N2O7 MolecularWeight: 368.29708

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H12N2O7/c1-8(21)19-11-4-10(18(26)27)5-12(7-11)20-15(22)13-3-2-9(17(24)25)6-14(13)16(20)23/h2-7H,1H3,(H,19,21)(H,24,25)(H,26,27)