4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazine-1-carbaldehyde

Systemtic Name: 4-[3-nitro-4-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]phenyl]carbonylpiperazine-1-carbaldehyde Openeye Name: 4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]benzoyl]piperazine-1-carbaldehyde CAS Name: 4-[[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]phenyl]-oxomethyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[3-nitro-4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]benzoyl]piperazine-1-carbaldehyde Traditional Name: 4-[4-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]-3-nitro-benzoyl]piperazine-1-carbaldehyde Formula: C25H27N5O6 MolecularWeight: 493.51178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=C4)C(=O)N5CCN(CC5)C=O)[N+](=O)[O-]

InChI

InChI=1S/C25H27N5O6/c31-17-26-11-13-28(14-12-26)24(32)18-5-6-22(23(15-18)30(34)35)27-9-7-20(8-10-27)29-21-4-2-1-3-19(21)16-36-25(29)33/h1-6,15,17,20H,7-14,16H2