tert-butyl 4-(2-cyano-4-nitro-phenyl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(2-cyano-4-nitro-phenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-cyano-4-nitro-phenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-cyano-4-nitrophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyano-4-nitrophenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-cyano-4-nitro-phenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-17(2,3)25-16(22)20-8-4-7-19(9-10-20)15-6-5-14(21(23)24)11-13(15)12-18/h5-6,11H,4,7-10H2,1-3H3