5-chloranyl-1-[(2-chloranyl-4-nitro-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde

Systemtic Name: 5-chloranyl-1-[(2-chloranyl-4-nitro-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde Openeye Name: 5-chloro-1-[(2-chloro-4-nitro-phenyl)methyl]-4-methyl-imidazol-1-ium-1-carbaldehyde CAS Name: 5-chloro-1-[(2-chloro-4-nitrophenyl)methyl]-4-methyl-1-imidazol-1-iumcarboxaldehyde IUPAC Name: 5-chloro-1-[(2-chloro-4-nitrophenyl)methyl]-4-methylimidazol-1-ium-1-carbaldehyde Traditional Name: 5-chloro-1-(2-chloro-4-nitro-benzyl)-4-methyl-imidazol-1-ium-1-carbaldehyde Formula: C12H10Cl2N3O3+ MolecularWeight: 315.1321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](C=N1)(CC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C=O)Cl

Isomeric SMILES

CC1=C([N+](C=N1)(CC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C=O)Cl

InChI

InChI=1S/C12H10Cl2N3O3/c1-8-12(14)17(7-18,6-15-8)5-9-2-3-10(16(19)20)4-11(9)13/h2-4,6-7H,5H2,1H3/q+1