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

Systemtic Name: tert-butyl N-[2-[[4-(6-nitro-1-oxidanyl-benzimidazol-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)anilino]-2-oxo-ethyl]carbamate CAS Name: N-[2-[4-(1-hydroxy-6-nitro-2-benzimidazolyl)anilino]-2-oxoethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[4-(1-hydroxy-6-nitrobenzimidazol-2-yl)anilino]-2-oxoethyl]carbamate Traditional Name: N-[2-[4-(1-hydroxy-6-nitro-benzimidazol-2-yl)anilino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C20H21N5O6 MolecularWeight: 427.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6/c1-20(2,3)31-19(27)21-11-17(26)22-13-6-4-12(5-7-13)18-23-15-9-8-14(25(29)30)10-16(15)24(18)28/h4-10,28H,11H2,1-3H3,(H,21,27)(H,22,26)