ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-quinoline-3-carboxylate Openeye Name: ethyl 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-quinoline-3-carboxylate CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanoquinoline-3-carboxylate Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-quinoline-3-carboxylic acid ethyl ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCC3=CC(=C(C=C3)OC)Cl)[N+]#[C-]

InChI

InChI=1S/C21H18ClN3O3/c1-4-28-21(26)16-12-24-18-7-6-14(23-2)10-15(18)20(16)25-11-13-5-8-19(27-3)17(22)9-13/h5-10,12H,4,11H2,1,3H3,(H,24,25)