tert-butyl-[6-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)carbonylamino]hexyl]carbamic acid

Systemtic Name: tert-butyl-[6-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)carbonylamino]hexyl]carbamic acid Openeye Name: tert-butyl-[6-[(4-hydroxy-3-methoxy-5-nitro-benzoyl)amino]hexyl]carbamic acid CAS Name: tert-butyl-[6-[[(4-hydroxy-3-methoxy-5-nitrophenyl)-oxomethyl]amino]hexyl]carbamic acid IUPAC Name: tert-butyl-[6-[(4-hydroxy-3-methoxy-5-nitrobenzoyl)amino]hexyl]carbamic acid Traditional Name: tert-butyl-[6-[(4-hydroxy-3-methoxy-5-nitro-benzoyl)amino]hexyl]carbamic acid Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCCCCCNC(=O)C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)N(CCCCCCNC(=O)C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H29N3O7/c1-19(2,3)21(18(25)26)10-8-6-5-7-9-20-17(24)13-11-14(22(27)28)16(23)15(12-13)29-4/h11-12,23H,5-10H2,1-4H3,(H,20,24)(H,25,26)