1-[3-nitro-4-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-(1-phenyltetrazol-5-yl)piperazino]phenyl]ethanone Formula: C19H19N7O3 MolecularWeight: 393.39926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O3/c1-14(27)15-7-8-17(18(13-15)26(28)29)23-9-11-24(12-10-23)19-20-21-22-25(19)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3