2-chloranyl-3-(4-methyl-3,5-dinitro-phenyl)propanenitrile

Systemtic Name: 2-chloranyl-3-(4-methyl-3,5-dinitro-phenyl)propanenitrile Openeye Name: 2-chloro-3-(4-methyl-3,5-dinitro-phenyl)propanenitrile CAS Name: 2-chloro-3-(4-methyl-3,5-dinitrophenyl)propanenitrile IUPAC Name: 2-chloro-3-(4-methyl-3,5-dinitrophenyl)propanenitrile Traditional Name: 2-chloro-3-(4-methyl-3,5-dinitro-phenyl)propionitrile Formula: C10H8ClN3O4 MolecularWeight: 269.64122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])CC(C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])CC(C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H8ClN3O4/c1-6-9(13(15)16)3-7(2-8(11)5-12)4-10(6)14(17)18/h3-4,8H,2H2,1H3