2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-nitro-benzaldehyde

Systemtic Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-5-nitro-benzaldehyde Openeye Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethoxy]-5-nitro-benzaldehyde CAS Name: 2-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethoxy]-5-nitrobenzaldehyde IUPAC Name: 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-5-nitrobenzaldehyde Traditional Name: 2-[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethoxy]-5-nitro-benzaldehyde Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

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