1-(5-nitro-3-prop-2-enoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)prop-2-en-1-one

Systemtic Name: 1-(5-nitro-3-prop-2-enoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)prop-2-en-1-one Openeye Name: 1-(5-nitro-3-prop-2-enoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)prop-2-en-1-one CAS Name: 1-[5-nitro-3-(1-oxoprop-2-enyl)-1,3,7-triazabicyclo[3.3.1]nonan-7-yl]-2-propen-1-one IUPAC Name: 1-(5-nitro-3-prop-2-enoyl-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)prop-2-en-1-one Traditional Name: 1-(3-acryloyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonan-7-yl)prop-2-en-1-one Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C=C)[N+](=O)[O-]

Isomeric SMILES

C=CC(=O)N1CC2(CN(C1)CN(C2)C(=O)C=C)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4/c1-3-10(17)14-6-12(16(19)20)5-13(8-14)9-15(7-12)11(18)4-2/h3-4H,1-2,5-9H2