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

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3,5-dinitro-benzaldehyde Openeye Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3,5-dinitro-benzaldehyde CAS Name: 2-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3,5-dinitrobenzaldehyde IUPAC Name: 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dinitrobenzaldehyde Traditional Name: 2-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3,5-dinitro-benzaldehyde Formula: C20H19ClN4O7 MolecularWeight: 462.84046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3C=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3C=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O7/c21-16-3-1-14(2-4-16)11-22-5-7-23(8-6-22)19(27)13-32-20-15(12-26)9-17(24(28)29)10-18(20)25(30)31/h1-4,9-10,12H,5-8,11,13H2