N-(4-butylphenyl)-2,4,6-trinitro-aniline

Systemtic Name: N-(4-butylphenyl)-2,4,6-trinitro-aniline Openeye Name: N-(4-butylphenyl)-2,4,6-trinitro-aniline CAS Name: N-(4-butylphenyl)-2,4,6-trinitroaniline IUPAC Name: N-(4-butylphenyl)-2,4,6-trinitroaniline Traditional Name: (4-butylphenyl)-picryl-amine Formula: C16H16N4O6 MolecularWeight: 360.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O6/c1-2-3-4-11-5-7-12(8-6-11)17-16-14(19(23)24)9-13(18(21)22)10-15(16)20(25)26/h5-10,17H,2-4H2,1H3