4-[2-(1H-benzimidazol-3-ium-2-yl)ethylamino]-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-[2-(1H-benzimidazol-3-ium-2-yl)ethylamino]-4-oxidanylidene-but-2-enoate Openeye Name: 4-[2-(1H-benzimidazol-3-ium-2-yl)ethylamino]-4-oxo-but-2-enoate CAS Name: 4-[2-(1H-benzimidazol-3-ium-2-yl)ethylamino]-4-oxo-2-butenoate IUPAC Name: 4-[2-(1H-benzimidazol-3-ium-2-yl)ethylamino]-4-oxobut-2-enoate Traditional Name: 4-[2-(1H-benzimidazol-3-ium-2-yl)ethylamino]-4-keto-but-2-enoate Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)CCNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)CCNC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C13H13N3O3/c17-12(5-6-13(18)19)14-8-7-11-15-9-3-1-2-4-10(9)16-11/h1-6H,7-8H2,(H,14,17)(H,15,16)(H,18,19)