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

Systemtic Name: 3-methyl-4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]benzaldehyde Openeye Name: 3-methyl-4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzaldehyde CAS Name: 3-methyl-4-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3-methyl-4-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]benzaldehyde Traditional Name: 3-methyl-4-[4-[2-(4-nitrophenoxy)acetyl]piperazino]benzaldehyde Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-15-12-16(13-24)2-7-19(15)21-8-10-22(11-9-21)20(25)14-28-18-5-3-17(4-6-18)23(26)27/h2-7,12-13H,8-11,14H2,1H3