5-bromanyl-4-methyl-2-(4-nitrophenyl)-7-propan-2-yl-1,3-benzoxazol-6-olate

Systemtic Name: 5-bromanyl-4-methyl-2-(4-nitrophenyl)-7-propan-2-yl-1,3-benzoxazol-6-olate Openeye Name: 5-bromo-7-isopropyl-4-methyl-2-(4-nitrophenyl)-1,3-benzoxazol-6-olate CAS Name: 5-bromo-4-methyl-2-(4-nitrophenyl)-7-propan-2-yl-1,3-benzoxazol-6-olate IUPAC Name: 5-bromo-4-methyl-2-(4-nitrophenyl)-7-propan-2-yl-1,3-benzoxazol-6-olate Traditional Name: 5-bromo-7-isopropyl-4-methyl-2-(4-nitrophenyl)-1,3-benzoxazol-6-olate Formula: C17H14BrN2O4- MolecularWeight: 390.20806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1Br)[O-])C(C)C)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C(=C1Br)[O-])C(C)C)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O4/c1-8(2)12-15(21)13(18)9(3)14-16(12)24-17(19-14)10-4-6-11(7-5-10)20(22)23/h4-8,21H,1-3H3/p-1