4-[(1-ethanoylcyclopropyl)amino]-2-nitro-5-pyridin-2-yl-piperazine-1-carboxylic acid

Systemtic Name: 4-[(1-ethanoylcyclopropyl)amino]-2-nitro-5-pyridin-2-yl-piperazine-1-carboxylic acid Openeye Name: 4-[(1-acetylcyclopropyl)amino]-2-nitro-5-(2-pyridyl)piperazine-1-carboxylic acid CAS Name: 4-[(1-acetylcyclopropyl)amino]-2-nitro-5-(2-pyridinyl)-1-piperazinecarboxylic acid IUPAC Name: 4-[(1-acetylcyclopropyl)amino]-2-nitro-5-pyridin-2-ylpiperazine-1-carboxylic acid Traditional Name: 4-[(1-acetylcyclopropyl)amino]-2-nitro-5-(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)NN2CC(N(CC2C3=CC=CC=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1(CC1)NN2CC(N(CC2C3=CC=CC=N3)C(=O)O)[N+](=O)[O-]

InChI

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