3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde

Systemtic Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde Openeye Name: 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]benzaldehyde Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C16H16N4O3/c21-12-13-4-5-14(15(11-13)20(22)23)18-7-9-19(10-8-18)16-3-1-2-6-17-16/h1-6,11-12H,7-10H2