tert-butyl 4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(4-nitrophenyl)carbonyl-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[(4-nitrophenyl)-oxomethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(4-nitrobenzoyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-17(2,3)25-16(22)19-10-4-9-18(11-12-19)15(21)13-5-7-14(8-6-13)20(23)24/h5-8H,4,9-12H2,1-3H3