2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-nitrobenzoyl)piperazino]acetic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5/c17-12(18)9-14-4-6-15(7-5-14)13(19)10-2-1-3-11(8-10)16(20)21/h1-3,8H,4-7,9H2,(H,17,18)