3-azanylideneisoindole-1,5-diamine benzoate

Systemtic Name: 3-azanylideneisoindole-1,5-diamine benzoate Openeye Name: 3-iminoisoindole-1,5-diamine benzoate CAS Name: 3-iminoisoindole-1,5-diamine benzoate IUPAC Name: 3-iminoisoindole-1,5-diamine benzoate Traditional Name: (1-amino-3-imino-isoindol-5-yl)amine benzoate Formula: C15H13N4O2- MolecularWeight: 281.28932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)[O-].C1=CC2=C(C=C1N)C(=N)N=C2N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[O-].C1=CC2=C(C=C1N)C(=N)N=C2N

InChI

InChI=1S/C8H8N4.C7H6O2/c9-4-1-2-5-6(3-4)8(11)12-7(5)10;8-7(9)6-4-2-1-3-5-6/h1-3H,9H2,(H3,10,11,12);1-5H,(H,8,9)/p-1