O1-ethyl O3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[2-(2-thienyl)oxazol-4-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(2-thiophen-2-yl-4-oxazolyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[2-(2-thienyl)oxazol-4-yl]methyl] ester Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7S/c1-2-25-17(21)11-6-12(8-14(7-11)20(23)24)18(22)27-10-13-9-26-16(19-13)15-4-3-5-28-15/h3-9H,2,10H2,1H3