4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-[2-(4-nitrophenoxy)acetyl]piperazine-1-carbonyl]benzoic acid Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H19N3O7/c24-18(13-30-17-7-5-16(6-8-17)23(28)29)21-9-11-22(12-10-21)19(25)14-1-3-15(4-2-14)20(26)27/h1-8H,9-13H2,(H,26,27)