diethyl-[2-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate

Systemtic Name: diethyl-[2-(2-oxidanylidene-3,4-dihydroquinolin-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate Openeye Name: diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]ammonium; 2,4,6-trinitrophenolate CAS Name: diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]ammonium; 2,4,6-trinitrophenolate IUPAC Name: diethyl-[2-(2-oxo-3,4-dihydroquinolin-1-yl)ethyl]azanium; 2,4,6-trinitrophenolate Traditional Name: diethyl-[2-(2-keto-3,4-dihydroquinolin-1-yl)ethyl]ammonium picrate Formula: C21H25N5O8 MolecularWeight: 475.4519

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(=O)CCC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN1C(=O)CCC2=CC=CC=C21.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O.C6H3N3O7/c1-3-16(4-2)11-12-17-14-8-6-5-7-13(14)9-10-15(17)18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-8H,3-4,9-12H2,1-2H3;1-2,10H