(E)-but-2-enedioic acid; 1-methyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine Openeye Name: fumaric acid; 1-methyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine CAS Name: (E)-2-butenedioic acid; 1-methyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine Traditional Name: fumaric acid; 1-methyl-7-phenyl-3,4-dihydropyrrolo[1,2-a]pyrazine Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NCCN2C1=CC(=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NCCN2C1=CC(=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N2.C4H4O4/c1-11-14-9-13(10-16(14)8-7-15-11)12-5-3-2-4-6-12;5-3(6)1-2-4(7)8/h2-6,9-10H,7-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+