N-(4-chloranyl-3-nitro-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(4-chloro-3-nitro-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(4-chloro-3-nitrophenyl)-2,4,6-trinitroaniline IUPAC Name: N-(4-chloro-3-nitrophenyl)-2,4,6-trinitroaniline Traditional Name: (4-chloro-3-nitro-phenyl)-picryl-amine Formula: C12H6ClN5O8 MolecularWeight: 383.65774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C12H6ClN5O8/c13-8-2-1-6(3-9(8)16(21)22)14-12-10(17(23)24)4-7(15(19)20)5-11(12)18(25)26/h1-5,14H