2-diethylaminoethyl 3-nitrobenzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 3-nitrobenzoate hydrochloride Openeye Name: 2-diethylaminoethyl 3-nitrobenzoate hydrochloride CAS Name: 3-nitrobenzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 3-nitrobenzoate hydrochloride Traditional Name: 3-nitrobenzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C13H19ClN2O4 MolecularWeight: 302.75396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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