2-(4-nitrophenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylic acid

Systemtic Name: 2-(4-nitrophenyl)-4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(isopropylamino)-2-oxo-ethyl]-2-(4-nitrophenyl)piperazine-1-carboxylic acid CAS Name: 2-(4-nitrophenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinecarboxylic acid IUPAC Name: 2-(4-nitrophenyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(isopropylamino)-2-keto-ethyl]-2-(4-nitrophenyl)piperazine-1-carboxylic acid Formula: C16H22N4O5 MolecularWeight: 350.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)NC(=O)CN1CCN(C(C1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

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