(E)-3-(5-nitrofuran-2-yl)-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-1-[(2S)-2-piperidin-1-ylcarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-nitro-2-furyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one CAS Name: (E)-3-(5-nitro-2-furanyl)-1-[(2S)-2-[oxo(1-piperidinyl)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]-2-propen-1-one IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-nitro-2-furyl)-1-[(2S)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CN(C3=CC=CC=C3O2)C(=O)C=CC4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H]2CN(C3=CC=CC=C3O2)C(=O)/C=C/C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-19(10-8-15-9-11-20(29-15)24(27)28)23-14-18(21(26)22-12-4-1-5-13-22)30-17-7-3-2-6-16(17)23/h2-3,6-11,18H,1,4-5,12-14H2/b10-8+/t18-/m0/s1