3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazin-1-yl]carbonylbenzoic acid Openeye Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid CAS Name: 3-[[4-[3-(4-nitrophenoxy)-1-oxopropyl]-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Traditional Name: 3-[4-[3-(4-nitrophenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid Formula: C21H21N3O7 MolecularWeight: 427.40734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CCOC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O7/c25-19(8-13-31-18-6-4-17(5-7-18)24(29)30)22-9-11-23(12-10-22)20(26)15-2-1-3-16(14-15)21(27)28/h1-7,14H,8-13H2,(H,27,28)