ethyl [4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazin-1-yl] carbonate

Systemtic Name: ethyl [4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazin-1-yl] carbonate Openeye Name: ethyl [4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]piperazin-1-yl] carbonate CAS Name: carbonic acid ethyl [4-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]-1-piperazinyl] ester IUPAC Name: ethyl [4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]piperazin-1-yl] carbonate Traditional Name: carbonic acid ethyl [4-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]piperazino] ester Formula: C27H31N5O8 MolecularWeight: 553.56374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)ON1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)ON1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)[N+](=O)[O-]

InChI

InChI=1S/C27H31N5O8/c1-2-38-27(35)40-30-15-13-29(14-16-30)25(33)19-7-8-23(24(17-19)32(36)37)28-11-9-21(10-12-28)31-22-6-4-3-5-20(22)18-39-26(31)34/h3-8,17,21H,2,9-16,18H2,1H3