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2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane

2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane

Systemtic Name:2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane
Openeye Name:1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)hexahydropyrimidine
CAS Name:2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-bis(phenylmethyl)-1,3-diazinane
IUPAC Name:1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)-1,3-diazinane
Traditional Name:1,3-dibenzyl-2-(6-nitro-1,3-benzodioxol-5-yl)hexahydropyrimidine
Formula: C25H25N3O4
MolecularWeight: 431.4837
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)CC5=CC=CC=C5


Isomeric SMILES

C1CN(C(N(C1)CC2=CC=CC=C2)C3=CC4=C(C=C3[N+](=O)[O-])OCO4)CC5=CC=CC=C5


InChI

InChI=1S/C25H25N3O4/c29-28(30)22-15-24-23(31-18-32-24)14-21(22)25-26(16-19-8-3-1-4-9-19)12-7-13-27(25)17-20-10-5-2-6-11-20/h1-6,8-11,14-15,25H,7,12-13,16-18H2


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