3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde

Systemtic Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzaldehyde Openeye Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethoxy]benzaldehyde CAS Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethoxy]benzaldehyde IUPAC Name: 3-methoxy-4-[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde Traditional Name: 4-[2-keto-2-[4-(4-nitrophenyl)piperazino]ethoxy]-3-methoxy-benzaldehyde Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6/c1-28-19-12-15(13-24)2-7-18(19)29-14-20(25)22-10-8-21(9-11-22)16-3-5-17(6-4-16)23(26)27/h2-7,12-13H,8-11,14H2,1H3