4-[6-[(1-ethanoylcyclopropyl)amino]-3-nitro-pyridin-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-[(1-ethanoylcyclopropyl)amino]-3-nitro-pyridin-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[6-[(1-acetylcyclopropyl)amino]-3-nitro-2-pyridyl]piperazine-1-carboxylic acid CAS Name: 4-[6-[(1-acetylcyclopropyl)amino]-3-nitro-2-pyridinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[6-[(1-acetylcyclopropyl)amino]-3-nitropyridin-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[6-[(1-acetylcyclopropyl)amino]-3-nitro-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)NC2=NC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(=O)C1(CC1)NC2=NC(=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C(=O)O

InChI

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