methyl (3S)-3-(4-chlorophenyl)-4-nitro-butanoate

Systemtic Name: methyl (3S)-3-(4-chlorophenyl)-4-nitro-butanoate Openeye Name: methyl (3S)-3-(4-chlorophenyl)-4-nitro-butanoate CAS Name: (3S)-3-(4-chlorophenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-chlorophenyl)-4-nitrobutanoate Traditional Name: (3S)-3-(4-chlorophenyl)-4-nitro-butyric acid methyl ester Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-17-11(14)6-9(7-13(15)16)8-2-4-10(12)5-3-8/h2-5,9H,6-7H2,1H3/t9-/m1/s1