(E)-but-2-enedioic acid; 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one

Systemtic Name: (E)-but-2-enedioic acid; 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one Openeye Name: fumaric acid; 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one CAS Name: (E)-2-butenedioic acid; 4-(2-morpholinylmethyl)-1,4-benzoxazin-3-one IUPAC Name: (E)-but-2-enedioic acid; 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one Traditional Name: fumaric acid; 4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one Formula: C17H20N2O7 MolecularWeight: 364.3499

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(CN1)CN2C(=O)COC3=CC=CC=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COC(CN1)CN2C(=O)COC3=CC=CC=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H16N2O3.C4H4O4/c16-13-9-18-12-4-2-1-3-11(12)15(13)8-10-7-14-5-6-17-10;5-3(6)1-2-4(7)8/h1-4,10,14H,5-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+