2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-5-nitro-benzaldehyde

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-5-nitro-benzaldehyde Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3-methoxy-5-nitro-benzaldehyde CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3-methoxy-5-nitrobenzaldehyde IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-nitrobenzaldehyde Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3-methoxy-5-nitro-benzaldehyde Formula: C21H22ClN3O6 MolecularWeight: 447.86888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=O)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O6/c1-30-19-11-18(25(28)29)10-16(13-26)21(19)31-14-20(27)24-8-6-23(7-9-24)12-15-2-4-17(22)5-3-15/h2-5,10-11,13H,6-9,12,14H2,1H3