methyl 3-(2-bromophenyl)-2-cyano-4-nitro-butanoate

Systemtic Name: methyl 3-(2-bromophenyl)-2-cyano-4-nitro-butanoate Openeye Name: methyl 3-(2-bromophenyl)-2-cyano-4-nitro-butanoate CAS Name: 3-(2-bromophenyl)-2-cyano-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(2-bromophenyl)-2-cyano-4-nitrobutanoate Traditional Name: 3-(2-bromophenyl)-2-cyano-4-nitro-butyric acid methyl ester Formula: C12H11BrN2O4 MolecularWeight: 327.13074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C(C[N+](=O)[O-])C1=CC=CC=C1Br

Isomeric SMILES

COC(=O)C(C#N)C(C[N+](=O)[O-])C1=CC=CC=C1Br

InChI

InChI=1S/C12H11BrN2O4/c1-19-12(16)9(6-14)10(7-15(17)18)8-4-2-3-5-11(8)13/h2-5,9-10H,7H2,1H3