3-(1,2-benzoxazol-3-yl)pyridin-4-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-(1,2-benzoxazol-3-yl)pyridin-4-amine; (E)-but-2-enedioic acid Openeye Name: 3-(1,2-benzoxazol-3-yl)pyridin-4-amine; fumaric acid CAS Name: 3-(1,2-benzoxazol-3-yl)-4-pyridinamine; (E)-2-butenedioic acid IUPAC Name: 3-(1,2-benzoxazol-3-yl)pyridin-4-amine; (E)-but-2-enedioic acid Traditional Name: fumaric acid; (3-indoxazen-3-yl-4-pyridyl)amine Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NO2)C3=C(C=CN=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NO2)C3=C(C=CN=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H9N3O.C4H4O4/c13-10-5-6-14-7-9(10)12-8-3-1-2-4-11(8)16-15-12;5-3(6)1-2-4(7)8/h1-7H,(H2,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+