4-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-6-nitro-1,4-benzoxazin-3-one Openeye Name: 4-[2-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-6-nitro-1,4-benzoxazin-3-one CAS Name: 4-[2-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]-6-nitro-1,4-benzoxazin-3-one Traditional Name: 4-[2-[3-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl]-6-nitro-1,4-benzoxazin-3-one Formula: C22H20N4O6 MolecularWeight: 436.4174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H20N4O6/c27-20(12-25-17-10-15(26(29)30)7-8-19(17)31-13-21(25)28)24-9-3-4-14(11-24)22-23-16-5-1-2-6-18(16)32-22/h1-2,5-8,10,14H,3-4,9,11-13H2