2-(2-aminophenyl)isoindole-1,3-dione hydrate

Systemtic Name: 2-(2-aminophenyl)isoindole-1,3-dione hydrate Openeye Name: 2-(2-aminophenyl)isoindoline-1,3-dione hydrate CAS Name: 2-(2-aminophenyl)isoindole-1,3-dione hydrate IUPAC Name: 2-(2-aminophenyl)isoindole-1,3-dione hydrate Traditional Name: 2-(2-aminophenyl)isoindoline-1,3-quinone hydrate Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3N.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC=C3N.O

InChI

InChI=1S/C14H10N2O2.H2O/c15-11-7-3-4-8-12(11)16-13(17)9-5-1-2-6-10(9)14(16)18;/h1-8H,15H2;1H2