tert-butyl 5-(5-chloranyl-2-nitro-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 5-(5-chloranyl-2-nitro-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 5-(5-chloro-2-nitro-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 5-(5-chloro-2-nitrophenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(5-chloro-2-nitrophenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 5-(5-chloro-2-nitro-phenoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=CC=C2OC3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN2O5/c1-20(2,3)28-19(24)22-10-9-15-13(12-22)5-4-6-17(15)27-18-11-14(21)7-8-16(18)23(25)26/h4-8,11H,9-10,12H2,1-3H3