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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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