tert-butyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 6-nitro-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O4/c1-15(2,3)21-14(18)16-9-7-11-5-4-6-13(17(19)20)12(11)8-10-16/h4-6H,7-10H2,1-3H3