4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxidanylidene-but-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)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)