(E)-but-2-enedioic acid; 2-methyl-3-nitro-1,4-dihydropyridine

Systemtic Name: (E)-but-2-enedioic acid; 2-methyl-3-nitro-1,4-dihydropyridine Openeye Name: fumaric acid; 2-methyl-3-nitro-1,4-dihydropyridine CAS Name: (E)-2-butenedioic acid; 2-methyl-3-nitro-1,4-dihydropyridine IUPAC Name: (E)-but-2-enedioic acid; 2-methyl-3-nitro-1,4-dihydropyridine Traditional Name: fumaric acid; 2-methyl-3-nitro-1,4-dihydropyridine Formula: C10H12N2O6 MolecularWeight: 256.21208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC=CN1)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(CC=CN1)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H8N2O2.C4H4O4/c1-5-6(8(9)10)3-2-4-7-5;5-3(6)1-2-4(7)8/h2,4,7H,3H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+