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

Systemtic Name: 2-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-3,5-dinitro-phenyl]ethanoic acid Openeye Name: 2-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-3,5-dinitro-phenyl]acetic acid CAS Name: 2-[4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-3,5-dinitrophenyl]acetic acid IUPAC Name: 2-[4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3,5-dinitrophenyl]acetic acid Traditional Name: 2-[4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-3,5-dinitro-phenyl]acetic acid Formula: C21H21ClN4O8 MolecularWeight: 492.86644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3[N+](=O)[O-])CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C(C=C(C=C3[N+](=O)[O-])CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21ClN4O8/c22-16-3-1-14(2-4-16)12-23-5-7-24(8-6-23)19(27)13-34-21-17(25(30)31)9-15(11-20(28)29)10-18(21)26(32)33/h1-4,9-10H,5-8,11-13H2,(H,28,29)