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

Systemtic Name: O1-ethyl O3-[(5-phenyl-1,2-oxazol-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[(5-phenylisoxazol-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(5-phenyl-3-isoxazolyl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(5-phenyl-1,2-oxazol-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[(5-phenylisoxazol-3-yl)methyl] ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7/c1-2-27-19(23)14-8-15(10-17(9-14)22(25)26)20(24)28-12-16-11-18(29-21-16)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3