(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O5S/c1-19(2)13-6-5-11(8-14(13)20(22)23)17(21)25-10-12-9-24-16(18-12)15-4-3-7-26-15/h3-9H,10H2,1-2H3