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

Systemtic Name: 3,5-dimethyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 3,5-dimethyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde CAS Name: 3,5-dimethyl-4-[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3,5-dimethyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Traditional Name: 3,5-dimethyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazino]benzaldehyde Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)[N+](=O)[O-])C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1N2CCN(CC2)C(=O)CCOC3=CC=C(C=C3)[N+](=O)[O-])C)C=O

InChI

InChI=1S/C22H25N3O5/c1-16-13-18(15-26)14-17(2)22(16)24-10-8-23(9-11-24)21(27)7-12-30-20-5-3-19(4-6-20)25(28)29/h3-6,13-15H,7-12H2,1-2H3