2-methylidenebutanedioate; pyridin-1-ium

Systemtic Name: 2-methylidenebutanedioate; pyridin-1-ium Openeye Name: 2-methylenebutanedioate; pyridin-1-ium CAS Name: 2-methylenebutanedioate; pyridin-1-ium IUPAC Name: 2-methylidenebutanedioate; pyridin-1-ium Traditional Name: itaconate; pyridin-1-ium Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C5H5N.C5H6O4/c2*1-2-4-6-5-3-1;1-3(5(8)9)2-4(6)7/h2*1-5H;1-2H2,(H,6,7)(H,8,9)