4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-quinoline-3-carboxylic acid

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-6-isocyano-quinoline-3-carboxylic acid Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-6-isocyano-quinoline-3-carboxylic acid CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyano-3-quinolinecarboxylic acid IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-isocyanoquinoline-3-carboxylic acid Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-6-isocyano-quinoline-3-carboxylic acid Formula: C19H14ClN3O3 MolecularWeight: 367.78576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)[N+]#[C-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=CC3=NC=C2C(=O)O)[N+]#[C-])Cl

InChI

InChI=1S/C19H14ClN3O3/c1-21-12-4-5-16-13(8-12)18(14(10-22-16)19(24)25)23-9-11-3-6-17(26-2)15(20)7-11/h3-8,10H,9H2,2H3,(H,22,23)(H,24,25)