2-dimethylaminoethyl 3,5-dinitrobenzoate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 3,5-dinitrobenzoate hydrochloride Openeye Name: 2-dimethylaminoethyl 3,5-dinitrobenzoate hydrochloride CAS Name: 3,5-dinitrobenzoic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 3,5-dinitrobenzoate hydrochloride Traditional Name: 3,5-dinitrobenzoic acid 2-dimethylaminoethyl ester hydrochloride Formula: C11H14ClN3O6 MolecularWeight: 319.69836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O6.ClH/c1-12(2)3-4-20-11(15)8-5-9(13(16)17)7-10(6-8)14(18)19;/h5-7H,3-4H2,1-2H3;1H