2-[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]-3-(phenylmethyl)-1,3-oxazinane

Systemtic Name: 2-[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]-3-(phenylmethyl)-1,3-oxazinane Openeye Name: 3-benzyl-2-[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]-1,3-oxazinane CAS Name: 2-[3-nitro-4-[4-(4-nitrophenyl)-1-piperazinyl]phenyl]-3-(phenylmethyl)-1,3-oxazinane IUPAC Name: 3-benzyl-2-[3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]phenyl]-1,3-oxazinane Traditional Name: 3-benzyl-2-[3-nitro-4-[4-(4-nitrophenyl)piperazino]phenyl]-1,3-oxazinane Formula: C27H29N5O5 MolecularWeight: 503.54966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(OC1)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O5/c33-31(34)24-10-8-23(9-11-24)28-14-16-29(17-15-28)25-12-7-22(19-26(25)32(35)36)27-30(13-4-18-37-27)20-21-5-2-1-3-6-21/h1-3,5-12,19,27H,4,13-18,20H2