3-azanylidene-N5,N5-dimethyl-isoindole-1,5-diamine benzoate

Systemtic Name: 3-azanylidene-N5,N5-dimethyl-isoindole-1,5-diamine benzoate Openeye Name: 3-imino-N5,N5-dimethyl-isoindole-1,5-diamine benzoate CAS Name: 3-imino-N5,N5-dimethylisoindole-1,5-diamine benzoate IUPAC Name: 3-imino-5-N,5-N-dimethylisoindole-1,5-diamine benzoate Traditional Name: (1-amino-3-imino-isoindol-5-yl)-dimethyl-amine benzoate Formula: C17H17N4O2- MolecularWeight: 309.34248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=NC2=N)N.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=NC2=N)N.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C10H12N4.C7H6O2/c1-14(2)6-3-4-7-8(5-6)10(12)13-9(7)11;8-7(9)6-4-2-1-3-5-6/h3-5H,1-2H3,(H3,11,12,13);1-5H,(H,8,9)/p-1