(2S)-2-[(5-nitropyridin-2-yl)amino]-1-piperazin-1-yl-propan-1-one

Systemtic Name: (2S)-2-[(5-nitropyridin-2-yl)amino]-1-piperazin-1-yl-propan-1-one Openeye Name: (2S)-2-[(5-nitro-2-pyridyl)amino]-1-piperazin-1-yl-propan-1-one CAS Name: (2S)-2-[(5-nitro-2-pyridinyl)amino]-1-(1-piperazinyl)-1-propanone IUPAC Name: (2S)-2-[(5-nitropyridin-2-yl)amino]-1-piperazin-1-ylpropan-1-one Traditional Name: (2S)-2-[(5-nitro-2-pyridyl)amino]-1-piperazino-propan-1-one Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNCC1)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N1CCNCC1)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N5O3/c1-9(12(18)16-6-4-13-5-7-16)15-11-3-2-10(8-14-11)17(19)20/h2-3,8-9,13H,4-7H2,1H3,(H,14,15)/t9-/m0/s1