4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxo-butanoate CAS Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate IUPAC Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate Traditional Name: 4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-keto-butyrate Formula: C13H14N3O3- MolecularWeight: 260.26856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H15N3O3/c17-12(5-6-13(18)19)14-8-7-11-15-9-3-1-2-4-10(9)16-11/h1-4H,5-8H2,(H,14,17)(H,15,16)(H,18,19)/p-1