tert-butyl N-[4-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]amino]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)anilino]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(1-hydroxy-6-nitro-2-benzimidazolyl)anilino]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)anilino]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)anilino]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-22(2,3)33-21(29)23-12-4-5-19(28)24-15-8-6-14(7-9-15)20-25-17-11-10-16(27(31)32)13-18(17)26(20)30/h6-11,13,30H,4-5,12H2,1-3H3,(H,23,29)(H,24,28)