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

Systemtic Name: (E)-but-2-enedioic acid; N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine Openeye Name: fumaric acid; N-propyl-N-(4-pyridyl)-1,2-benzoxazol-3-amine CAS Name: (E)-2-butenedioic acid; N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine IUPAC Name: (E)-but-2-enedioic acid; N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine Traditional Name: fumaric acid; indoxazen-3-yl-propyl-(4-pyridyl)amine Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC=NC=C1)C2=NOC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=CC=NC=C1)C2=NOC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H15N3O.C4H4O4/c1-2-11-18(12-7-9-16-10-8-12)15-13-5-3-4-6-14(13)19-17-15;5-3(6)1-2-4(7)8/h3-10H,2,11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+