2-chloranyl-4-methyl-1,3,5-trinitro-benzene

Systemtic Name: 2-chloranyl-4-methyl-1,3,5-trinitro-benzene Openeye Name: 2-chloro-4-methyl-1,3,5-trinitro-benzene CAS Name: 2-chloro-4-methyl-1,3,5-trinitrobenzene IUPAC Name: 2-chloro-4-methyl-1,3,5-trinitrobenzene Traditional Name: 2-chloro-4-methyl-1,3,5-trinitro-benzene Formula: C7H4ClN3O6 MolecularWeight: 261.57616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H4ClN3O6/c1-3-4(9(12)13)2-5(10(14)15)6(8)7(3)11(16)17/h2H,1H3