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

Systemtic Name: 3,5-dimethyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 3,5-dimethyl-4-[4-[3-(4-methyl-2-nitro-phenoxy)propanoyl]piperazin-1-yl]benzaldehyde CAS Name: 3,5-dimethyl-4-[4-[3-(4-methyl-2-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3,5-dimethyl-4-[4-[3-(4-methyl-2-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Traditional Name: 3,5-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=C3C)C=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C3=C(C=C(C=C3C)C=O)C)[N+](=O)[O-]

InChI

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