(E)-but-2-enedioic acid; 1-phenazin-1-ylethanone

Systemtic Name: (E)-but-2-enedioic acid; 1-phenazin-1-ylethanone Openeye Name: fumaric acid; 1-phenazin-1-ylethanone CAS Name: (E)-2-butenedioic acid; 1-(1-phenazinyl)ethanone IUPAC Name: (E)-but-2-enedioic acid; 1-phenazin-1-ylethanone Traditional Name: fumaric acid; 1-phenazin-1-ylethanone Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H10N2O.C4H4O4/c1-9(17)10-5-4-8-13-14(10)16-12-7-3-2-6-11(12)15-13;5-3(6)1-2-4(7)8/h2-8H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+