(E)-but-2-enedioic acid; 6-phenylmethoxypyrido[4,3-b]indol-1-one

Systemtic Name: (E)-but-2-enedioic acid; 6-phenylmethoxypyrido[4,3-b]indol-1-one Openeye Name: 6-benzyloxypyrido[4,3-b]indol-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 6-phenylmethoxy-1-pyrido[4,3-b]indolone IUPAC Name: (E)-but-2-enedioic acid; 6-phenylmethoxypyrido[4,3-b]indol-1-one Traditional Name: 6-benzoxypyrid[4,3-b]indol-1-one; fumaric acid Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC3=C4C(=CC=NC4=O)N=C32.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC3=C4C(=CC=NC4=O)N=C32.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H12N2O2.C4H4O4/c21-18-16-13-7-4-8-15(17(13)20-14(16)9-10-19-18)22-11-12-5-2-1-3-6-12;5-3(6)1-2-4(7)8/h1-10H,11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+