(E)-3-[2,3-bis(oxidanyl)propylamino]-2-(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)but-2-enoate

Systemtic Name: (E)-3-[2,3-bis(oxidanyl)propylamino]-2-(4-nitro-1-oxidanidyl-pyridin-1-ium-3-yl)but-2-enoate Openeye Name: (E)-3-(2,3-dihydroxypropylamino)-2-(4-nitro-1-oxido-pyridin-1-ium-3-yl)but-2-enoate CAS Name: (E)-3-(2,3-dihydroxypropylamino)-2-(4-nitro-1-oxido-3-pyridin-1-iumyl)-2-butenoate IUPAC Name: (E)-3-(2,3-dihydroxypropylamino)-2-(4-nitro-1-oxidopyridin-1-ium-3-yl)but-2-enoate Traditional Name: (E)-3-(glycerylamino)-2-(4-nitro-1-oxido-pyridin-1-ium-3-yl)but-2-enoate Formula: C12H14N3O7- MolecularWeight: 312.25546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C1=C(C=C[N+](=C1)[O-])[N+](=O)[O-])C(=O)[O-])NCC(CO)O

Isomeric SMILES

C/C(=C(/C1=C(C=C[N+](=C1)[O-])[N+](=O)[O-])\C(=O)[O-])/NCC(CO)O

InChI

InChI=1S/C12H15N3O7/c1-7(13-4-8(17)6-16)11(12(18)19)9-5-14(20)3-2-10(9)15(21)22/h2-3,5,8,13,16-17H,4,6H2,1H3,(H,18,19)/p-1/b11-7+