(E)-but-2-enedioic acid; 6-chloranyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 6-chloranyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine Openeye Name: 6-chloro-N-(4-pyridyl)-1,2-benzoxazol-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine IUPAC Name: (E)-but-2-enedioic acid; 6-chloro-N-pyridin-4-yl-1,2-benzoxazol-3-amine Traditional Name: (6-chloroindoxazen-3-yl)-(4-pyridyl)amine; fumaric acid Formula: C16H12ClN3O5 MolecularWeight: 361.73658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)ON=C2NC3=CC=NC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)ON=C2NC3=CC=NC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H8ClN3O.C4H4O4/c13-8-1-2-10-11(7-8)17-16-12(10)15-9-3-5-14-6-4-9;5-3(6)1-2-4(7)8/h1-7H,(H,14,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+