propan-2-yl 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate

Systemtic Name: propan-2-yl 2-[1-(4-bromanyl-2-nitro-phenyl)ethyl]-3-oxidanylidene-butanoate Openeye Name: isopropyl 2-acetyl-3-(4-bromo-2-nitro-phenyl)butanoate CAS Name: 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-acetyl-3-(4-bromo-2-nitrophenyl)butanoate Traditional Name: 2-acetyl-3-(4-bromo-2-nitro-phenyl)butyric acid isopropyl ester Formula: C15H18BrNO5 MolecularWeight: 372.21112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(C)OC(=O)C(C(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C15H18BrNO5/c1-8(2)22-15(19)14(10(4)18)9(3)12-6-5-11(16)7-13(12)17(20)21/h5-9,14H,1-4H3