5-chloranyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,4-dinitro-benzamide

Systemtic Name: 5-chloranyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,4-dinitro-benzamide Openeye Name: 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,4-dinitro-benzamide CAS Name: 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,4-dinitrobenzamide IUPAC Name: 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,4-dinitrobenzamide Traditional Name: 5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,4-dinitro-benzamide Formula: C13H14ClN3O7 MolecularWeight: 359.71916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1(OCC(O1)CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)C

InChI

InChI=1S/C13H14ClN3O7/c1-13(2)23-6-7(24-13)5-15-12(18)8-3-9(14)11(17(21)22)4-10(8)16(19)20/h3-4,7H,5-6H2,1-2H3,(H,15,18)