(6E)-6-[[2,6-bis(2-hydroxyethylamino)-5-isocyano-4-methyl-pyridin-3-yl]hydrazinylidene]-3-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[2,6-bis(2-hydroxyethylamino)-5-isocyano-4-methyl-pyridin-3-yl]hydrazinylidene]-3-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[2,6-bis(2-hydroxyethylamino)-5-isocyano-4-methyl-3-pyridyl]hydrazono]-3-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[2,6-bis(2-hydroxyethylamino)-5-isocyano-4-methyl-3-pyridinyl]hydrazinylidene]-3-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[2,6-bis(2-hydroxyethylamino)-5-isocyano-4-methylpyridin-3-yl]hydrazinylidene]-3-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[2,6-bis(2-hydroxyethylamino)-5-isocyano-4-methyl-3-pyridyl]hydrazono]-3-nitro-cyclohexa-2,4-dien-1-one Formula: C17H19N7O5 MolecularWeight: 401.37666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1NN=C2C=CC(=CC2=O)[N+](=O)[O-])NCCO)NCCO)[N+]#[C-]

Isomeric SMILES

CC1=C(C(=NC(=C1N/N=C/2\C=CC(=CC2=O)[N+](=O)[O-])NCCO)NCCO)[N+]#[C-]

InChI

InChI=1S/C17H19N7O5/c1-10-14(18-2)16(19-5-7-25)21-17(20-6-8-26)15(10)23-22-12-4-3-11(24(28)29)9-13(12)27/h3-4,9,23,25-26H,5-8H2,1H3,(H2,19,20,21)/b22-12+