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

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2,4,6-trinitro-aniline Openeye Name: N-(3-chloro-2-methyl-phenyl)-2,4,6-trinitro-aniline CAS Name: N-(3-chloro-2-methylphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(3-chloro-2-methylphenyl)-2,4,6-trinitroaniline Traditional Name: (3-chloro-2-methyl-phenyl)-picryl-amine Formula: C13H9ClN4O6 MolecularWeight: 352.68676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9ClN4O6/c1-7-9(14)3-2-4-10(7)15-13-11(17(21)22)5-8(16(19)20)6-12(13)18(23)24/h2-6,15H,1H3