methyl 3-(4-bromophenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(4-bromophenyl)-4-nitro-butanoate Openeye Name: methyl 3-(4-bromophenyl)-4-nitro-butanoate CAS Name: 3-(4-bromophenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)-4-nitrobutanoate Traditional Name: 3-(4-bromophenyl)-4-nitro-butyric acid methyl ester Formula: C11H12BrNO4 MolecularWeight: 302.12128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrNO4/c1-17-11(14)6-9(7-13(15)16)8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3