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

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-4-14-16-11(9-23-14)8-22-15(19)10-5-6-12(17(2)3)13(7-10)18(20)21/h5-7,9H,4,8H2,1-3H3