2-(1,2-benzoxazol-3-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanone Traditional Name: 2-indoxazen-3-yl-1-[4-(6-nitro-3-pyridyl)piperazino]ethanone Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CC3=NOC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CC3=NOC4=CC=CC=C43

InChI

InChI=1S/C18H17N5O4/c24-18(11-15-14-3-1-2-4-16(14)27-20-15)22-9-7-21(8-10-22)13-5-6-17(19-12-13)23(25)26/h1-6,12H,7-11H2