2-diethylaminoethyl 2,4,6-trinitrobenzoate chloride

Systemtic Name: 2-diethylaminoethyl 2,4,6-trinitrobenzoate chloride Openeye Name: 2-diethylaminoethyl 2,4,6-trinitrobenzoate chloride CAS Name: 2,4,6-trinitrobenzoic acid 2-diethylaminoethyl ester chloride IUPAC Name: 2-diethylaminoethyl 2,4,6-trinitrobenzoate chloride Traditional Name: 2,4,6-trinitrobenzoic acid 2-diethylaminoethyl ester chloride Formula: C13H16ClN4O8- MolecularWeight: 391.74114

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C13H16N4O8.ClH/c1-3-14(4-2)5-6-25-13(18)12-10(16(21)22)7-9(15(19)20)8-11(12)17(23)24;/h7-8H,3-6H2,1-2H3;1H/p-1