tert-butyl 4,4-dimethyl-7-nitro-1,3-dihydroisoquinoline-2-carboxylate

Systemtic Name: tert-butyl 4,4-dimethyl-7-nitro-1,3-dihydroisoquinoline-2-carboxylate Openeye Name: tert-butyl 4,4-dimethyl-7-nitro-1,3-dihydroisoquinoline-2-carboxylate CAS Name: 4,4-dimethyl-7-nitro-1,3-dihydroisoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4,4-dimethyl-7-nitro-1,3-dihydroisoquinoline-2-carboxylate Traditional Name: 4,4-dimethyl-7-nitro-1,3-dihydroisoquinoline-2-carboxylic acid tert-butyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(CN(CC2=C1C=CC(=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)C

InChI

InChI=1S/C16H22N2O4/c1-15(2,3)22-14(19)17-9-11-8-12(18(20)21)6-7-13(11)16(4,5)10-17/h6-8H,9-10H2,1-5H3