(6E)-6-[[2,3-bis(oxidanyl)propylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[2,3-bis(oxidanyl)propylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(2,3-dihydroxypropylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(2,3-dihydroxypropylamino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(2,3-dihydroxypropylamino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(glycerylamino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C10H12N2O5 MolecularWeight: 240.21268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5/c13-6-9(14)5-11-4-7-3-8(12(16)17)1-2-10(7)15/h1-4,9,11,13-14H,5-6H2/b7-4+