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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O5S/c1-9(20)16-15-17-11(8-25-15)7-24-14(21)10-4-5-12(18(2)3)13(6-10)19(22)23/h4-6,8H,7H2,1-3H3,(H,16,17,20)