N-(3-iodanylphenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(3-iodanylphenyl)-2,4,6-trinitro-aniline Openeye Name: N-(3-iodophenyl)-2,4,6-trinitro-aniline CAS Name: N-(3-iodophenyl)-2,4,6-trinitroaniline IUPAC Name: N-(3-iodophenyl)-2,4,6-trinitroaniline Traditional Name: (3-iodophenyl)-picryl-amine Formula: C12H7IN4O6 MolecularWeight: 430.11165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)I)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7IN4O6/c13-7-2-1-3-8(4-7)14-12-10(16(20)21)5-9(15(18)19)6-11(12)17(22)23/h1-6,14H