6-nitro-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[2-oxidanylidene-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[2-oxo-2-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(4-pyridin-1-ium-4-ylpiperazino)ethyl]-6-nitro-1,3-benzoxazol-2-one Formula: C18H18N5O5+ MolecularWeight: 384.36602

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H17N5O5/c24-17(21-9-7-20(8-10-21)13-3-5-19-6-4-13)12-22-15-2-1-14(23(26)27)11-16(15)28-18(22)25/h1-6,11H,7-10,12H2/p+1