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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(4-chloranyl-2-nitro-phenoxy)benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 4-(4-chloro-2-nitro-phenoxy)benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 4-(4-chloro-2-nitrophenoxy)benzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C18H13ClN2O6 MolecularWeight: 388.75862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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