3-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-(4-nitrophenyl)piperazin-1-yl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butanoic acid CAS Name: 3-methyl-2-[[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[4-(4-nitrophenyl)piperazine-1-carbonyl]amino]butyric acid Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O5/c1-11(2)14(15(21)22)17-16(23)19-9-7-18(8-10-19)12-3-5-13(6-4-12)20(24)25/h3-6,11,14H,7-10H2,1-2H3,(H,17,23)(H,21,22)