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

Systemtic Name: O1-ethyl O3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl] ester Formula: C14H13N3O7 MolecularWeight: 335.26892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NN=C(O2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NN=C(O2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O7/c1-3-22-13(18)9-4-10(6-11(5-9)17(20)21)14(19)23-7-12-16-15-8(2)24-12/h4-6H,3,7H2,1-2H3