3-azanylideneisoindol-1-amine; phthalic acid

Systemtic Name: 3-azanylideneisoindol-1-amine; phthalic acid Openeye Name: 3-iminoisoindol-1-amine; phthalic acid CAS Name: 3-imino-1-isoindolamine; phthalic acid IUPAC Name: 3-iminoisoindol-1-amine; phthalic acid Traditional Name: (3-iminoisoindol-1-yl)amine; phthalic acid Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC2=N)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC2=N)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C8H7N3.C8H6O4/c9-7-5-3-1-2-4-6(5)8(10)11-7;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H3,9,10,11);1-4H,(H,9,10)(H,11,12)