4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-nitro-benzaldehyde

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)C=O)[N+](=O)[O-]

InChI

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