3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-4-nitro-benzoic acid

Systemtic Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-4-nitro-benzoic acid Openeye Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-4-nitro-benzoic acid CAS Name: 3-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-4-nitrobenzoic acid IUPAC Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-4-nitrobenzoic acid Traditional Name: 3-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-4-nitro-benzoic acid Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O6/c21-16-4-1-14(2-5-16)12-22-7-9-23(10-8-22)19(25)13-30-18-11-15(20(26)27)3-6-17(18)24(28)29/h1-6,11H,7-10,12-13H2,(H,26,27)