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

Systemtic Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]-2-nitro-benzoic acid Openeye Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]-2-nitro-benzoic acid CAS Name: 3-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-nitrobenzoic acid IUPAC Name: 3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-nitrobenzoic acid Traditional Name: 3-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]-2-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=CC=CC(=C3[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

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