(5-phenyl-1,2-oxazol-3-yl)methyl 3-methyl-4-nitro-benzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C18H14N2O5 MolecularWeight: 338.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O5/c1-12-9-14(7-8-16(12)20(22)23)18(21)24-11-15-10-17(25-19-15)13-5-3-2-4-6-13/h2-10H,11H2,1H3