2-diethylaminoethyl N-naphthalen-1-ylcarbamate; 2,4,6-trinitrophenol

Systemtic Name: 2-diethylaminoethyl N-naphthalen-1-ylcarbamate; 2,4,6-trinitrophenol Openeye Name: 2-diethylaminoethyl N-(1-naphthyl)carbamate; picric acid CAS Name: N-(1-naphthalenyl)carbamic acid 2-diethylaminoethyl ester; 2,4,6-trinitrophenol IUPAC Name: 2-diethylaminoethyl N-naphthalen-1-ylcarbamate; 2,4,6-trinitrophenol Traditional Name: N-(1-naphthyl)carbamic acid 2-diethylaminoethyl ester; picric acid Formula: C23H25N5O9 MolecularWeight: 515.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)NC1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)NC1=CC=CC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O2.C6H3N3O7/c1-3-19(4-2)12-13-21-17(20)18-16-11-7-9-14-8-5-6-10-15(14)16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-11H,3-4,12-13H2,1-2H3,(H,18,20);1-2,10H