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

Systemtic Name: 3-[4-(3-nitrophenyl)piperazin-1-yl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-(3-nitrophenyl)piperazin-1-yl]-3-oxo-propanoic acid CAS Name: 3-[4-(3-nitrophenyl)-1-piperazinyl]-3-oxopropanoic acid IUPAC Name: 3-[4-(3-nitrophenyl)piperazin-1-yl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[4-(3-nitrophenyl)piperazino]propionic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC(=O)O

InChI

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