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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C18H13BrN2O5 MolecularWeight: 417.21022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN2O5/c1-11-15(20-17(26-11)12-5-3-2-4-6-12)10-25-18(22)13-7-8-14(19)16(9-13)21(23)24/h2-9H,10H2,1H3