ethyl 3-(4-ethyl-3,5-dimethoxy-phenyl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(4-ethyl-3,5-dimethoxy-phenyl)-4-nitro-butanoate Openeye Name: ethyl 3-(4-ethyl-3,5-dimethoxy-phenyl)-4-nitro-butanoate CAS Name: 3-(4-ethyl-3,5-dimethoxyphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(4-ethyl-3,5-dimethoxyphenyl)-4-nitrobutanoate Traditional Name: 3-(4-ethyl-3,5-dimethoxy-phenyl)-4-nitro-butyric acid ethyl ester Formula: C16H23NO6 MolecularWeight: 325.35692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1OC)C(CC(=O)OCC)C[N+](=O)[O-])OC

Isomeric SMILES

CCC1=C(C=C(C=C1OC)C(CC(=O)OCC)C[N+](=O)[O-])OC

InChI

InChI=1S/C16H23NO6/c1-5-13-14(21-3)7-11(8-15(13)22-4)12(10-17(19)20)9-16(18)23-6-2/h7-8,12H,5-6,9-10H2,1-4H3