3-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(4-nitrobenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(4-nitrobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(4-nitrobenzoyl)piperazino]propionic acid Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(=O)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c18-13(19)5-6-15-7-9-16(10-8-15)14(20)11-1-3-12(4-2-11)17(21)22/h1-4H,5-10H2,(H,18,19)