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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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