bis(oxidanyl)-oxidanylidene-azanium; 2-diethylaminoethyl 4-nitrobenzoate

Systemtic Name: bis(oxidanyl)-oxidanylidene-azanium; 2-diethylaminoethyl 4-nitrobenzoate Openeye Name: 2-diethylaminoethyl 4-nitrobenzoate; dihydroxy(oxo)ammonium CAS Name: dihydroxy(oxo)ammonium; 4-nitrobenzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-nitrobenzoate; dihydroxy(oxo)azanium Traditional Name: dihydroxy(keto)ammonium; 4-nitrobenzoic acid 2-diethylaminoethyl ester Formula: C13H20N3O7+ MolecularWeight: 330.3138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4.H2NO3/c1-3-14(4-2)9-10-19-13(16)11-5-7-12(8-6-11)15(17)18;2-1(3)4/h5-8H,3-4,9-10H2,1-2H3;(H2,2,3,4)/q;+1