tert-butyl 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 7-nitro-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-14(2,3)20-13(17)15-7-6-10-4-5-12(16(18)19)8-11(10)9-15/h4-5,8H,6-7,9H2,1-3H3