3-azanylideneisoindol-1-amine; 2-phenoxyethanoate

Systemtic Name: 3-azanylideneisoindol-1-amine; 2-phenoxyethanoate Openeye Name: 3-iminoisoindol-1-amine; 2-phenoxyacetate CAS Name: 3-imino-1-isoindolamine; 2-phenoxyacetate IUPAC Name: 3-iminoisoindol-1-amine; 2-phenoxyacetate Traditional Name: (3-iminoisoindol-1-yl)amine; 2-phenoxyacetate Formula: C16H14N3O3- MolecularWeight: 296.30066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)[O-].C1=CC=C2C(=C1)C(=NC2=N)N

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)[O-].C1=CC=C2C(=C1)C(=NC2=N)N

InChI

InChI=1S/C8H7N3.C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7;9-8(10)6-11-7-4-2-1-3-5-7/h1-4H,(H3,9,10,11);1-5H,6H2,(H,9,10)/p-1