2-(4-ethoxyphenoxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O6/c1-2-28-18-7-9-19(10-8-18)29-14-15-30-22(25)17-6-11-20(21(16-17)24(26)27)23-12-4-3-5-13-23/h6-11,16H,2-5,12-15H2,1H3