4-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]piperazin-2-one

Systemtic Name: 4-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]piperazin-2-one Openeye Name: 4-[4-[[(3-nitro-2-pyridyl)amino]methyl]phenyl]piperazin-2-one CAS Name: 4-[4-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]-2-piperazinone IUPAC Name: 4-[4-[[(3-nitropyridin-2-yl)amino]methyl]phenyl]piperazin-2-one Traditional Name: 4-[4-[[(3-nitro-2-pyridyl)amino]methyl]phenyl]piperazin-2-one Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O3/c22-15-11-20(9-8-17-15)13-5-3-12(4-6-13)10-19-16-14(21(23)24)2-1-7-18-16/h1-7H,8-11H2,(H,17,22)(H,18,19)