3-nitro-4-(4-phenylpiperazin-1-yl)benzaldehyde

Systemtic Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzaldehyde Openeye Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzaldehyde CAS Name: 3-nitro-4-(4-phenyl-1-piperazinyl)benzaldehyde IUPAC Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzaldehyde Traditional Name: 3-nitro-4-(4-phenylpiperazino)benzaldehyde Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3/c21-13-14-6-7-16(17(12-14)20(22)23)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2