(E)-but-2-enedioic acid; 5-chloranyl-N-ethyl-1H-indol-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 5-chloranyl-N-ethyl-1H-indol-3-amine Openeye Name: 5-chloro-N-ethyl-1H-indol-3-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-chloro-N-ethyl-1H-indol-3-amine IUPAC Name: (E)-but-2-enedioic acid; 5-chloro-N-ethyl-1H-indol-3-amine Traditional Name: (5-chloro-1H-indol-3-yl)-ethyl-amine; fumaric acid Formula: C14H15ClN2O4 MolecularWeight: 310.7329

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CNC2=C1C=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCNC1=CNC2=C1C=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H11ClN2.C4H4O4/c1-2-12-10-6-13-9-4-3-7(11)5-8(9)10;5-3(6)1-2-4(7)8/h3-6,12-13H,2H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+