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

Systemtic Name: [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 4-chloranyl-3-nitro-benzoate Openeye Name: [5-(4-methoxyphenyl)isoxazol-3-yl]methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [5-(4-methoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [5-(4-methoxyphenyl)isoxazol-3-yl]methyl ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN2O6/c1-25-14-5-2-11(3-6-14)17-9-13(20-27-17)10-26-18(22)12-4-7-15(19)16(8-12)21(23)24/h2-9H,10H2,1H3