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

Systemtic Name: 3-nitro-4-[4-(phenylcarbonyl)piperazin-1-yl]benzaldehyde Openeye Name: 4-(4-benzoylpiperazin-1-yl)-3-nitro-benzaldehyde CAS Name: 4-(4-benzoyl-1-piperazinyl)-3-nitrobenzaldehyde IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-3-nitrobenzaldehyde Traditional Name: 4-(4-benzoylpiperazino)-3-nitro-benzaldehyde Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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