3,5-dimethyl-4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]benzaldehyde

Systemtic Name: 3,5-dimethyl-4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 3,5-dimethyl-4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzaldehyde CAS Name: 3,5-dimethyl-4-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3,5-dimethyl-4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzaldehyde Traditional Name: 3,5-dimethyl-4-[4-[2-(4-nitrophenoxy)acetyl]piperazino]benzaldehyde Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-])C)C=O

InChI

InChI=1S/C21H23N3O5/c1-15-11-17(13-25)12-16(2)21(15)23-9-7-22(8-10-23)20(26)14-29-19-5-3-18(4-6-19)24(27)28/h3-6,11-13H,7-10,14H2,1-2H3