3-(3-cyclopentyl-4-methoxy-phenyl)-2-ethoxycarbonyl-4-nitro-butanoate

Systemtic Name: 3-(3-cyclopentyl-4-methoxy-phenyl)-2-ethoxycarbonyl-4-nitro-butanoate Openeye Name: 3-(3-cyclopentyl-4-methoxy-phenyl)-2-ethoxycarbonyl-4-nitro-butanoate CAS Name: 3-(3-cyclopentyl-4-methoxyphenyl)-2-ethoxycarbonyl-4-nitrobutanoate IUPAC Name: 3-(3-cyclopentyl-4-methoxyphenyl)-2-ethoxycarbonyl-4-nitrobutanoate Traditional Name: 2-carbethoxy-3-(3-cyclopentyl-4-methoxy-phenyl)-4-nitro-butyrate Formula: C19H24NO7- MolecularWeight: 378.39636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)C2CCCC2)C(=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CC(=C(C=C1)OC)C2CCCC2)C(=O)[O-]

InChI

InChI=1S/C19H25NO7/c1-3-27-19(23)17(18(21)22)15(11-20(24)25)13-8-9-16(26-2)14(10-13)12-6-4-5-7-12/h8-10,12,15,17H,3-7,11H2,1-2H3,(H,21,22)/p-1