(E)-2-methylbut-2-enoate; 3-methyl-1-phenyl-pyrrole-2,5-dione

Systemtic Name: (E)-2-methylbut-2-enoate; 3-methyl-1-phenyl-pyrrole-2,5-dione Openeye Name: (E)-2-methylbut-2-enoate; 3-methyl-1-phenyl-pyrrole-2,5-dione CAS Name: (E)-2-methyl-2-butenoate; 3-methyl-1-phenylpyrrole-2,5-dione IUPAC Name: (E)-2-methylbut-2-enoate; 3-methyl-1-phenylpyrrole-2,5-dione Traditional Name: (E)-2-methylbut-2-enoate; 3-methyl-1-phenyl-3-pyrroline-2,5-quinone Formula: C16H16NO4- MolecularWeight: 286.30254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)[O-].CC1=CC(=O)N(C1=O)C2=CC=CC=C2

Isomeric SMILES

C/C=C(\C)/C(=O)[O-].CC1=CC(=O)N(C1=O)C2=CC=CC=C2

InChI

InChI=1S/C11H9NO2.C5H8O2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9;1-3-4(2)5(6)7/h2-7H,1H3;3H,1-2H3,(H,6,7)/p-1/b;4-3+