2,4a,5,9a-tetrahydro-1H-cyclohepta[d]pyrimidine; (E)-but-2-enedioic acid

Systemtic Name: 2,4a,5,9a-tetrahydro-1H-cyclohepta[d]pyrimidine; (E)-but-2-enedioic acid Openeye Name: 2,4a,5,9a-tetrahydro-1H-cyclohepta[d]pyrimidine; fumaric acid CAS Name: 2,4a,5,9a-tetrahydro-1H-cyclohepta[d]pyrimidine; (E)-2-butenedioic acid IUPAC Name: 2,4a,5,9a-tetrahydro-1H-cyclohepta[d]pyrimidine; (E)-but-2-enedioic acid Traditional Name: 2,4a,5,9a-tetrahydro-1H-cyclohepta[d]pyrimidine; fumaric acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC2C1C=NCN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C=CC=CC2C1C=NCN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H12N2.C4H4O4/c1-2-4-8-6-10-7-11-9(8)5-3-1;5-3(6)1-2-4(7)8/h1-3,5-6,8-9,11H,4,7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+