propan-2-yl (3S)-3-(4-methoxyphenyl)-4-nitro-butanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-4-nitro-butanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-4-nitro-butanoate CAS Name: (3S)-3-(4-methoxyphenyl)-4-nitrobutanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-4-nitrobutanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-4-nitro-butyric acid isopropyl ester Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5/c1-10(2)20-14(16)8-12(9-15(17)18)11-4-6-13(19-3)7-5-11/h4-7,10,12H,8-9H2,1-3H3/t12-/m1/s1