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

Systemtic Name: 2-methyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 2-methyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde CAS Name: 2-methyl-4-[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]benzaldehyde IUPAC Name: 2-methyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]benzaldehyde Traditional Name: 2-methyl-4-[4-[3-(4-nitrophenoxy)propanoyl]piperazino]benzaldehyde Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-16-14-19(3-2-17(16)15-25)22-9-11-23(12-10-22)21(26)8-13-29-20-6-4-18(5-7-20)24(27)28/h2-7,14-15H,8-13H2,1H3