methyl (3R)-2-methylidene-3-(4-nitrophenyl)pentanoate

Systemtic Name: methyl (3R)-2-methylidene-3-(4-nitrophenyl)pentanoate Openeye Name: methyl (3R)-2-methylene-3-(4-nitrophenyl)pentanoate CAS Name: (3R)-2-methylene-3-(4-nitrophenyl)pentanoic acid methyl ester IUPAC Name: methyl (3R)-2-methylidene-3-(4-nitrophenyl)pentanoate Traditional Name: 2-[(1R)-1-(4-nitrophenyl)propyl]acrylic acid methyl ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-4-12(9(2)13(15)18-3)10-5-7-11(8-6-10)14(16)17/h5-8,12H,2,4H2,1,3H3/t12-/m0/s1