(4Z)-4-[(3-tert-butyl-4-methoxy-phenyl)-chloranyl-methyl]iminocyclohexa-1,5-diene-1-carboxylate

Systemtic Name: (4Z)-4-[(3-tert-butyl-4-methoxy-phenyl)-chloranyl-methyl]iminocyclohexa-1,5-diene-1-carboxylate Openeye Name: (4Z)-4-[(3-tert-butyl-4-methoxy-phenyl)-chloro-methyl]iminocyclohexa-1,5-diene-1-carboxylate CAS Name: (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-chloromethyl]imino-1-cyclohexa-1,5-dienecarboxylate IUPAC Name: (4Z)-4-[(3-tert-butyl-4-methoxyphenyl)-chloromethyl]iminocyclohexa-1,5-diene-1-carboxylate Traditional Name: (4Z)-4-[(3-tert-butyl-4-methoxy-phenyl)-chloro-methyl]iminocyclohexa-1,5-diene-1-carboxylate Formula: C19H21ClNO3- MolecularWeight: 346.82794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C(N=C2CC=C(C=C2)C(=O)[O-])Cl)OC

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C(/N=C\2/CC=C(C=C2)C(=O)[O-])Cl)OC

InChI

InChI=1S/C19H22ClNO3/c1-19(2,3)15-11-13(7-10-16(15)24-4)17(20)21-14-8-5-12(6-9-14)18(22)23/h5-8,10-11,17H,9H2,1-4H3,(H,22,23)/p-1/b21-14+