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

Systemtic Name: ethyl 3-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-2-31-22(28)19-11-18(12-20(13-19)26(29)30)21(27)25-9-7-24(8-10-25)15-17-5-3-16(14-23)4-6-17/h3-6,11-13H,2,7-10,15H2,1H3