(E)-4-oxidanylidene-4-(pyridin-1-ium-2-ylmethylamino)but-2-enoate

Systemtic Name: (E)-4-oxidanylidene-4-(pyridin-1-ium-2-ylmethylamino)but-2-enoate Openeye Name: (E)-4-oxo-4-(pyridin-1-ium-2-ylmethylamino)but-2-enoate CAS Name: (E)-4-oxo-4-(2-pyridin-1-iumylmethylamino)-2-butenoate IUPAC Name: (E)-4-oxo-4-(pyridin-1-ium-2-ylmethylamino)but-2-enoate Traditional Name: (E)-4-keto-4-(pyridin-1-ium-2-ylmethylamino)but-2-enoate Formula: C10H10N2O3 MolecularWeight: 206.198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)CNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)CNC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C10H10N2O3/c13-9(4-5-10(14)15)12-7-8-3-1-2-6-11-8/h1-6H,7H2,(H,12,13)(H,14,15)/b5-4+