(E)-but-2-enedioic acid; 2-(4-nitrophenyl)-6-phenyl-pyridine

Systemtic Name: (E)-but-2-enedioic acid; 2-(4-nitrophenyl)-6-phenyl-pyridine Openeye Name: fumaric acid; 2-(4-nitrophenyl)-6-phenyl-pyridine CAS Name: (E)-2-butenedioic acid; 2-(4-nitrophenyl)-6-phenylpyridine IUPAC Name: (E)-but-2-enedioic acid; 2-(4-nitrophenyl)-6-phenylpyridine Traditional Name: fumaric acid; 2-(4-nitrophenyl)-6-phenyl-pyridine Formula: C21H16N2O6 MolecularWeight: 392.36154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H12N2O2.C4H4O4/c20-19(21)15-11-9-14(10-12-15)17-8-4-7-16(18-17)13-5-2-1-3-6-13;5-3(6)1-2-4(7)8/h1-12H;1-2H,(H,5,6)(H,7,8)/b;2-1+