1-(diethylamino)ethyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: 1-(diethylamino)ethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 1-(diethylamino)ethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 1-(diethylamino)ethyl ester IUPAC Name: 1-(diethylamino)ethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 1-(diethylamino)ethyl ester Formula: C13H17ClN2O4 MolecularWeight: 300.73808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O4/c1-4-15(5-2)9(3)20-13(17)11-7-6-10(16(18)19)8-12(11)14/h6-9H,4-5H2,1-3H3