1-(1-chloranylpropan-2-yl)-2-methyl-azepane; 2,4,6-trinitrophenol

Systemtic Name: 1-(1-chloranylpropan-2-yl)-2-methyl-azepane; 2,4,6-trinitrophenol Openeye Name: 1-(2-chloro-1-methyl-ethyl)-2-methyl-azepane; picric acid CAS Name: 1-(1-chloropropan-2-yl)-2-methylazepane; 2,4,6-trinitrophenol IUPAC Name: 1-(1-chloropropan-2-yl)-2-methylazepane; 2,4,6-trinitrophenol Traditional Name: 1-(2-chloro-1-methyl-ethyl)-2-methyl-azepane; picric acid Formula: C16H23ClN4O7 MolecularWeight: 418.82942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCN1C(C)CCl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCCCN1C(C)CCl.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H20ClN.C6H3N3O7/c1-9-6-4-3-5-7-12(9)10(2)8-11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-10H,3-8H2,1-2H3;1-2,10H