ethyl 3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-nitro-butanoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-nitro-butanoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-nitrobutanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)-4-nitro-butyric acid ethyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1OC)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1OC)C(C[N+](=O)[O-])C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO7/c1-3-26-20(22)19(14-6-4-5-7-16(14)25-2)15(11-21(23)24)13-8-9-17-18(10-13)28-12-27-17/h4-10,15,19H,3,11-12H2,1-2H3