ethyl 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(4-ethoxyphenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-ethoxybenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C23H27N3O6 MolecularWeight: 441.47698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C23H27N3O6/c1-3-31-21-7-5-17(6-8-21)16-24-9-11-25(12-10-24)22(27)18-13-19(23(28)32-4-2)15-20(14-18)26(29)30/h5-8,13-15H,3-4,9-12,16H2,1-2H3