dimethyl (E)-2-(3-nitrophenyl)carbonylbut-2-enedioate

Systemtic Name: dimethyl (E)-2-(3-nitrophenyl)carbonylbut-2-enedioate Openeye Name: dimethyl (E)-2-(3-nitrobenzoyl)but-2-enedioate CAS Name: (E)-2-[(3-nitrophenyl)-oxomethyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-(3-nitrobenzoyl)but-2-enedioate Traditional Name: (E)-2-(3-nitrobenzoyl)but-2-enedioic acid dimethyl ester Formula: C13H11NO7 MolecularWeight: 293.22894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)C1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)/C=C(\C(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C13H11NO7/c1-20-11(15)7-10(13(17)21-2)12(16)8-4-3-5-9(6-8)14(18)19/h3-7H,1-2H3/b10-7+