(2,4,6-trinitrophenyl) 4-azanyl-2-butyl-benzoate

Systemtic Name: (2,4,6-trinitrophenyl) 4-azanyl-2-butyl-benzoate Openeye Name: (2,4,6-trinitrophenyl) 4-amino-2-butyl-benzoate CAS Name: 4-amino-2-butylbenzoic acid (2,4,6-trinitrophenyl) ester IUPAC Name: (2,4,6-trinitrophenyl) 4-amino-2-butylbenzoate Traditional Name: 4-amino-2-butyl-benzoic acid picryl ester Formula: C17H16N4O8 MolecularWeight: 404.33094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1)N)C(=O)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C=CC(=C1)N)C(=O)OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O8/c1-2-3-4-10-7-11(18)5-6-13(10)17(22)29-16-14(20(25)26)8-12(19(23)24)9-15(16)21(27)28/h5-9H,2-4,18H2,1H3