5-[[azanyl(nitramido)methylidene]amino]-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]pentanoate

Systemtic Name: 5-[[azanyl(nitramido)methylidene]amino]-2-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methylamino]pentanoate Openeye Name: 5-[[amino(nitramido)methylene]amino]-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylamino]pentanoate CAS Name: 5-[[amino(nitramido)methylidene]amino]-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]pentanoate IUPAC Name: 5-[[amino(nitramido)methylidene]amino]-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylamino]pentanoate Traditional Name: 5-[[amino(nitramido)methylene]amino]-2-[(3,5-ditert-butyl-4-hydroxy-benzyl)amino]valerate Formula: C21H34N5O5- MolecularWeight: 436.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(CCCN=C(N)N[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC(CCCN=C(N)N[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H35N5O5/c1-20(2,3)14-10-13(11-15(17(14)27)21(4,5)6)12-24-16(18(28)29)8-7-9-23-19(22)25-26(30)31/h10-11,16,24,27H,7-9,12H2,1-6H3,(H,28,29)(H3,22,23,25)/p-1