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

Systemtic Name: 2-methyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 2-methyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde CAS Name: 2-methyl-4-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzaldehyde IUPAC Name: 2-methyl-4-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Traditional Name: 2-methyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazino]benzaldehyde Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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