(3S)-3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (3S)-3-methyl-5-[4-(4-nitrophenyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (3S)-3-methyl-5-[4-(4-nitrophenyl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (3S)-5-keto-3-methyl-5-[4-(4-nitrophenyl)piperazino]valeric acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C[C@@H](CC(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C16H21N3O5/c1-12(11-16(21)22)10-15(20)18-8-6-17(7-9-18)13-2-4-14(5-3-13)19(23)24/h2-5,12H,6-11H2,1H3,(H,21,22)/t12-/m0/s1