methyl 4-(4-butoxy-3-nitro-5-phenyl-phenyl)butanoate

Systemtic Name: methyl 4-(4-butoxy-3-nitro-5-phenyl-phenyl)butanoate Openeye Name: methyl 4-(4-butoxy-3-nitro-5-phenyl-phenyl)butanoate CAS Name: 4-(4-butoxy-3-nitro-5-phenylphenyl)butanoic acid methyl ester IUPAC Name: methyl 4-(4-butoxy-3-nitro-5-phenylphenyl)butanoate Traditional Name: 4-(4-butoxy-3-nitro-5-phenyl-phenyl)butyric acid methyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C2=CC=CC=C2)CCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO5/c1-3-4-13-27-21-18(17-10-6-5-7-11-17)14-16(15-19(21)22(24)25)9-8-12-20(23)26-2/h5-7,10-11,14-15H,3-4,8-9,12-13H2,1-2H3