(2-ethyl-1,3-thiazol-4-yl)methyl 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(CC)CC

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(CC)CC

InChI

InChI=1S/C17H21N3O4S/c1-4-16-18-12(11-25-16)10-24-17(21)14-9-13(20(22)23)7-8-15(14)19(5-2)6-3/h7-9,11H,4-6,10H2,1-3H3