ethyl 3-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)carbonyl-4-nitro-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(3-fluoranyl-4-methoxy-phenyl)carbonyl-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-benzoyl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxybenzoyl)-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(3-fluoro-4-methoxy-benzoyl)-4-nitro-butyric acid ethyl ester Formula: C21H20FNO8 MolecularWeight: 433.383803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H20FNO8/c1-3-29-21(25)19(20(24)13-5-6-16(28-2)15(22)8-13)14(10-23(26)27)12-4-7-17-18(9-12)31-11-30-17/h4-9,14,19H,3,10-11H2,1-2H3