4-chloranyl-3,6-dinitro-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 4-chloranyl-3,6-dinitro-2-propan-2-yl-benzenecarbonitrile Openeye Name: 4-chloro-2-isopropyl-3,6-dinitro-benzonitrile CAS Name: 4-chloro-3,6-dinitro-2-propan-2-ylbenzonitrile IUPAC Name: 4-chloro-3,6-dinitro-2-propan-2-ylbenzonitrile Traditional Name: 4-chloro-2-isopropyl-3,6-dinitro-benzonitrile Formula: C10H8ClN3O4 MolecularWeight: 269.64122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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