(5-phenyl-1,2-oxazol-3-yl)methyl 3-nitrobenzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-nitrobenzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5/c20-17(13-7-4-8-15(9-13)19(21)22)23-11-14-10-16(24-18-14)12-5-2-1-3-6-12/h1-10H,11H2