tert-butyl N-[[4-[(5-nitro-2-oxidanyl-phenyl)methylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(5-nitro-2-oxidanyl-phenyl)methylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[(2-hydroxy-5-nitro-phenyl)methylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[(2-hydroxy-5-nitrophenyl)methylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[(2-hydroxy-5-nitrophenyl)methylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[(2-hydroxy-5-nitro-benzyl)carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C20H23N3O6/c1-20(2,3)29-19(26)22-11-13-4-6-14(7-5-13)18(25)21-12-15-10-16(23(27)28)8-9-17(15)24/h4-10,24H,11-12H2,1-3H3,(H,21,25)(H,22,26)