2-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-3-oxidanylidene-inden-1-olate

Systemtic Name: 2-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-3-oxidanylidene-inden-1-olate Openeye Name: 2-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-3-oxo-inden-1-olate CAS Name: 2-[1-[3-(1-imidazolyl)propylimino]ethyl]-3-oxo-1-indenolate IUPAC Name: 2-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-3-oxoinden-1-olate Traditional Name: 2-[N-(3-imidazol-1-ylpropyl)-C-methyl-carbonimidoyl]-3-keto-inden-1-olate Formula: C17H16N3O2- MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCN1C=CN=C1)C2=C(C3=CC=CC=C3C2=O)[O-]

Isomeric SMILES

CC(=NCCCN1C=CN=C1)C2=C(C3=CC=CC=C3C2=O)[O-]

InChI

InChI=1S/C17H17N3O2/c1-12(19-7-4-9-20-10-8-18-11-20)15-16(21)13-5-2-3-6-14(13)17(15)22/h2-3,5-6,8,10-11,21H,4,7,9H2,1H3/p-1