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CHEBI:49945 - ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate

Default Structure
ChEBI IDCHEBI:49945
ChEBI Nameethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate
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DownloadsMolfile
FormulaC15H13Cl2N3O2
Net Charge0
Average Mass338.194
Monoisotopic Mass337.03848
SMILES[H]/C(=C(\C#N)c1c(C(=O)OC([H])([H])C([H])([H])[H])n(C([H])([H])[H])c2c(Cl)c(Cl)c([H])c([H])c12)N([H])[H]
InChIInChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-
InChIKeyCXJCGSPAPOTTSF-VURMDHGXSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate (CHEBI:49945) is a unclassifieds (CHEBI:27189)
Synonym  Source
ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylatePDBeChem
Manual XrefsDatabases
V25PDBeChem