5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(4-nitrobenzoyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(4-nitrobenzoyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(4-nitrobenzoyl)piperazino]valeric acid Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c20-14(2-1-3-15(21)22)17-8-10-18(11-9-17)16(23)12-4-6-13(7-5-12)19(24)25/h4-7H,1-3,8-11H2,(H,21,22)