(E)-but-2-enedioic acid; 1-(4-nitrophenyl)imidazolidin-2-one

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-nitrophenyl)imidazolidin-2-one Openeye Name: fumaric acid; 1-(4-nitrophenyl)imidazolidin-2-one CAS Name: (E)-2-butenedioic acid; 1-(4-nitrophenyl)-2-imidazolidinone IUPAC Name: (E)-but-2-enedioic acid; 1-(4-nitrophenyl)imidazolidin-2-one Traditional Name: fumaric acid; 1-(4-nitrophenyl)-2-imidazolidinone Formula: C13H13N3O7 MolecularWeight: 323.25822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H9N3O3.C4H4O4/c13-9-10-5-6-11(9)7-1-3-8(4-2-7)12(14)15;5-3(6)1-2-4(7)8/h1-4H,5-6H2,(H,10,13);1-2H,(H,5,6)(H,7,8)/b;2-1+