ethyl 7-chloranyl-2-imidazol-1-yl-6-[(E)-2-isocyanoethenyl]quinoline-4-carboxylate

Systemtic Name: ethyl 7-chloranyl-2-imidazol-1-yl-6-[(E)-2-isocyanoethenyl]quinoline-4-carboxylate Openeye Name: ethyl 7-chloro-2-imidazol-1-yl-6-[(E)-2-isocyanovinyl]quinoline-4-carboxylate CAS Name: 7-chloro-2-(1-imidazolyl)-6-[(E)-2-isocyanoethenyl]-4-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2-imidazol-1-yl-6-[(E)-2-isocyanoethenyl]quinoline-4-carboxylate Traditional Name: 7-chloro-2-imidazol-1-yl-6-[(E)-2-isocyanovinyl]cinchoninic acid ethyl ester Formula: C18H13ClN4O2 MolecularWeight: 352.77442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=CC(=C(C=C12)C=C[N+]#[C-])Cl)N3C=CN=C3

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=CC(=C(C=C12)/C=C/[N+]#[C-])Cl)N3C=CN=C3

InChI

InChI=1S/C18H13ClN4O2/c1-3-25-18(24)14-9-17(23-7-6-21-11-23)22-16-10-15(19)12(4-5-20-2)8-13(14)16/h4-11H,3H2,1H3/b5-4+