2-diethylaminoethyl 2-chloranyl-5-nitro-benzoate hydrochloride

Systemtic Name: 2-diethylaminoethyl 2-chloranyl-5-nitro-benzoate hydrochloride Openeye Name: 2-diethylaminoethyl 2-chloro-5-nitro-benzoate hydrochloride CAS Name: 2-chloro-5-nitrobenzoic acid 2-diethylaminoethyl ester hydrochloride IUPAC Name: 2-diethylaminoethyl 2-chloro-5-nitrobenzoate hydrochloride Traditional Name: 2-chloro-5-nitro-benzoic acid 2-diethylaminoethyl ester hydrochloride Formula: C13H18Cl2N2O4 MolecularWeight: 337.19902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4.ClH/c1-3-15(4-2)7-8-20-13(17)11-9-10(16(18)19)5-6-12(11)14;/h5-6,9H,3-4,7-8H2,1-2H3;1H