1,3-bis(azanyl)-7-oxidanyl-isoindol-5-one; 4-chloranylbenzoic acid

Systemtic Name: 1,3-bis(azanyl)-7-oxidanyl-isoindol-5-one; 4-chloranylbenzoic acid Openeye Name: 4-chlorobenzoic acid; 1,3-diamino-7-hydroxy-isoindol-5-one CAS Name: 4-chlorobenzoic acid; 1,3-diamino-7-hydroxy-5-isoindolone IUPAC Name: 4-chlorobenzoic acid; 1,3-diamino-7-hydroxyisoindol-5-one Traditional Name: 4-chlorobenzoic acid; 1,3-diamino-7-hydroxy-isoindol-5-one Formula: C15H12ClN3O4 MolecularWeight: 333.72648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)Cl.C1=C2C(=C(N=C2N)N)C(=CC1=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)Cl.C1=C2C(=C(N=C2N)N)C(=CC1=O)O

InChI

InChI=1S/C8H7N3O2.C7H5ClO2/c9-7-4-1-3(12)2-5(13)6(4)8(10)11-7;8-6-3-1-5(2-4-6)7(9)10/h1-2,13H,10H2,(H2,9,11);1-4H,(H,9,10)