methyl 3-(2-bromanyl-4-methyl-phenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(2-bromanyl-4-methyl-phenyl)-4-nitro-butanoate Openeye Name: methyl 3-(2-bromo-4-methyl-phenyl)-4-nitro-butanoate CAS Name: 3-(2-bromo-4-methylphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(2-bromo-4-methylphenyl)-4-nitrobutanoate Traditional Name: 3-(2-bromo-4-methyl-phenyl)-4-nitro-butyric acid methyl ester Formula: C12H14BrNO4 MolecularWeight: 316.14786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CC(=O)OC)C[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)C(CC(=O)OC)C[N+](=O)[O-])Br

InChI

InChI=1S/C12H14BrNO4/c1-8-3-4-10(11(13)5-8)9(7-14(16)17)6-12(15)18-2/h3-5,9H,6-7H2,1-2H3