methyl N-[2-(2-acetamidophenyl)ethyl]carbamate; 2,4,6-trinitrophenol

Systemtic Name: methyl N-[2-(2-acetamidophenyl)ethyl]carbamate; 2,4,6-trinitrophenol Openeye Name: methyl N-[2-(2-acetamidophenyl)ethyl]carbamate; picric acid CAS Name: N-[2-(2-acetamidophenyl)ethyl]carbamic acid methyl ester; 2,4,6-trinitrophenol IUPAC Name: methyl N-[2-(2-acetamidophenyl)ethyl]carbamate; 2,4,6-trinitrophenol Traditional Name: N-[2-(2-acetamidophenyl)ethyl]carbamic acid methyl ester; picric acid Formula: C18H19N5O10 MolecularWeight: 465.37096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1CCNC(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=CC=C1CCNC(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O3.C6H3N3O7/c1-9(15)14-11-6-4-3-5-10(11)7-8-13-12(16)17-2;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6H,7-8H2,1-2H3,(H,13,16)(H,14,15);1-2,10H