methyl 3-(3-bromophenyl)-2-nitro-butanoate

Systemtic Name: methyl 3-(3-bromophenyl)-2-nitro-butanoate Openeye Name: methyl 3-(3-bromophenyl)-2-nitro-butanoate CAS Name: 3-(3-bromophenyl)-2-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(3-bromophenyl)-2-nitrobutanoate Traditional Name: 3-(3-bromophenyl)-2-nitro-butyric acid methyl ester Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO4/c1-7(8-4-3-5-9(12)6-8)10(13(15)16)11(14)17-2/h3-7,10H,1-2H3