2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]benzaldehyde

Systemtic Name: 2-nitro-5-[4-(phenylcarbonyl)piperazin-1-yl]benzaldehyde Openeye Name: 5-(4-benzoylpiperazin-1-yl)-2-nitro-benzaldehyde CAS Name: 5-(4-benzoyl-1-piperazinyl)-2-nitrobenzaldehyde IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-2-nitrobenzaldehyde Traditional Name: 5-(4-benzoylpiperazino)-2-nitro-benzaldehyde Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])C=O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])C=O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4/c22-13-15-12-16(6-7-17(15)21(24)25)19-8-10-20(11-9-19)18(23)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2