[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 4-methyl-3-nitro-benzoate

Systemtic Name: [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 4-methyl-3-nitro-benzoate Openeye Name: [5-(4-chlorophenyl)isoxazol-3-yl]methyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [5-(4-chlorophenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [5-(4-chlorophenyl)isoxazol-3-yl]methyl ester Formula: C18H13ClN2O5 MolecularWeight: 372.75922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClN2O5/c1-11-2-3-13(8-16(11)21(23)24)18(22)25-10-15-9-17(26-20-15)12-4-6-14(19)7-5-12/h2-9H,10H2,1H3