N-(5-chloranyl-2,4-dimethoxy-phenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2,4,6-trinitroaniline Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-picryl-amine Formula: C14H11ClN4O8 MolecularWeight: 398.71214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C14H11ClN4O8/c1-26-12-6-13(27-2)9(5-8(12)15)16-14-10(18(22)23)3-7(17(20)21)4-11(14)19(24)25/h3-6,16H,1-2H3