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

Systemtic Name: tert-butyl 4-(2-methyl-4-nitro-phenyl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(2-methyl-4-nitro-phenyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(2-methyl-4-nitrophenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methyl-4-nitrophenyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(2-methyl-4-nitro-phenyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H25N3O4 MolecularWeight: 335.3981

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C17H25N3O4/c1-13-12-14(20(22)23)6-7-15(13)18-8-5-9-19(11-10-18)16(21)24-17(2,3)4/h6-7,12H,5,8-11H2,1-4H3