2-diethylaminoethyl 2,4,6-trinitrobenzoate

Systemtic Name: 2-diethylaminoethyl 2,4,6-trinitrobenzoate Openeye Name: 2-diethylaminoethyl 2,4,6-trinitrobenzoate CAS Name: 2,4,6-trinitrobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 2,4,6-trinitrobenzoate Traditional Name: 2,4,6-trinitrobenzoic acid 2-diethylaminoethyl ester Formula: C13H16N4O8 MolecularWeight: 356.28814

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H16N4O8/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