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

Systemtic Name: 3-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-nitrobenzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-nitrobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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