6-[(1-ethanoylcyclopropyl)amino]-3-nitro-2-pyridin-2-yl-piperazine-1-carboxylic acid

Systemtic Name: 6-[(1-ethanoylcyclopropyl)amino]-3-nitro-2-pyridin-2-yl-piperazine-1-carboxylic acid Openeye Name: 6-[(1-acetylcyclopropyl)amino]-3-nitro-2-(2-pyridyl)piperazine-1-carboxylic acid CAS Name: 6-[(1-acetylcyclopropyl)amino]-3-nitro-2-(2-pyridinyl)-1-piperazinecarboxylic acid IUPAC Name: 6-[(1-acetylcyclopropyl)amino]-3-nitro-2-pyridin-2-ylpiperazine-1-carboxylic acid Traditional Name: 6-[(1-acetylcyclopropyl)amino]-3-nitro-2-(2-pyridyl)piperazine-1-carboxylic acid Formula: C15H19N5O5 MolecularWeight: 349.34186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC1)NC2CNC(C(N2C(=O)O)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1(CC1)NC2CNC(C(N2C(=O)O)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5/c1-9(21)15(5-6-15)18-11-8-17-13(20(24)25)12(19(11)14(22)23)10-4-2-3-7-16-10/h2-4,7,11-13,17-18H,5-6,8H2,1H3,(H,22,23)