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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC2=COC(=N2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S/c1-25-7-6-19-14-5-4-12(9-15(14)21(23)24)18(22)27-11-13-10-26-17(20-13)16-3-2-8-28-16/h2-5,8-10,19H,6-7,11H2,1H3