(E)-but-2-enedioic acid; 3-methyl-1,2-benzoxazole

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-1,2-benzoxazole Openeye Name: fumaric acid; 3-methyl-1,2-benzoxazole CAS Name: (E)-2-butenedioic acid; 3-methyl-1,2-benzoxazole IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-1,2-benzoxazole Traditional Name: fumaric acid; 3-methylindoxazene Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=CC=CC=C12.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NOC2=CC=CC=C12.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H7NO.C4H4O4/c1-6-7-4-2-3-5-8(7)10-9-6;5-3(6)1-2-4(7)8/h2-5H,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+