(2E)-3-[(4-chlorophenyl)methyl]-2-(nitromethylidene)-1,3-diazinane-1-carbaldehyde

Systemtic Name: (2E)-3-[(4-chlorophenyl)methyl]-2-(nitromethylidene)-1,3-diazinane-1-carbaldehyde Openeye Name: (2E)-3-[(4-chlorophenyl)methyl]-2-(nitromethylene)hexahydropyrimidine-1-carbaldehyde CAS Name: (2E)-3-[(4-chlorophenyl)methyl]-2-(nitromethylidene)-1,3-diazinane-1-carboxaldehyde IUPAC Name: (2E)-3-[(4-chlorophenyl)methyl]-2-(nitromethylidene)-1,3-diazinane-1-carbaldehyde Traditional Name: (2E)-3-(4-chlorobenzyl)-2-(nitromethylene)hexahydropyrimidine-1-carbaldehyde Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=C[N+](=O)[O-])N(C1)C=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(/C(=C\[N+](=O)[O-])/N(C1)C=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H14ClN3O3/c14-12-4-2-11(3-5-12)8-15-6-1-7-16(10-18)13(15)9-17(19)20/h2-5,9-10H,1,6-8H2/b13-9+