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

Systemtic Name: 3-nitro-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzaldehyde Openeye Name: 3-nitro-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzaldehyde CAS Name: 3-nitro-4-[4-(1-oxo-3-phenoxypropyl)-1-piperazinyl]benzaldehyde IUPAC Name: 3-nitro-4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzaldehyde Traditional Name: 3-nitro-4-[4-(3-phenoxypropanoyl)piperazino]benzaldehyde Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C=O)[N+](=O)[O-])C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5/c24-15-16-6-7-18(19(14-16)23(26)27)21-9-11-22(12-10-21)20(25)8-13-28-17-4-2-1-3-5-17/h1-7,14-15H,8-13H2