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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)C(=O)CCOC3=CC(=C(C=C3)[N+](=O)[O-])C

InChI

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