tert-butyl N-[2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]amino]ethyl]carbamate CAS Name: N-[2-[[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]amino]ethyl]carbamate Traditional Name: N-[2-[[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C27H33N5O7 MolecularWeight: 539.58022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)C1=CC(=C(C=C1)N2CCC(CC2)N3C4=CC=CC=C4COC3=O)[N+](=O)[O-]

InChI

InChI=1S/C27H33N5O7/c1-27(2,3)39-25(34)29-13-12-28-24(33)18-8-9-22(23(16-18)32(36)37)30-14-10-20(11-15-30)31-21-7-5-4-6-19(21)17-38-26(31)35/h4-9,16,20H,10-15,17H2,1-3H3,(H,28,33)(H,29,34)