2,5-dimethyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde

Systemtic Name: 2,5-dimethyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 2,5-dimethyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde CAS Name: 2,5-dimethyl-4-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzaldehyde IUPAC Name: 2,5-dimethyl-4-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Traditional Name: 2,5-dimethyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazino]benzaldehyde Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C3=C(C=C(C(=C3)C)C=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C3=C(C=C(C(=C3)C)C=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-16-4-5-22(21(12-16)26(29)30)31-11-6-23(28)25-9-7-24(8-10-25)20-14-17(2)19(15-27)13-18(20)3/h4-5,12-15H,6-11H2,1-3H3