(4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonic acid

Systemtic Name: (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxidanylidene-naphthalene-2,7-disulfonic acid Openeye Name: (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazono]-3-oxo-naphthalene-2,7-disulfonic acid CAS Name: (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid IUPAC Name: (4E)-4-[(4-ethoxycarbonyl-5-isocyano-1H-imidazol-2-yl)hydrazinylidene]-3-oxonaphthalene-2,7-disulfonic acid Traditional Name: (4E)-4-[(4-carbethoxy-5-isocyano-1H-imidazol-2-yl)hydrazono]-3-keto-naphthalene-2,7-disulfonic acid Formula: C17H13N5O9S2 MolecularWeight: 495.44322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=N1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)O)C=C(C2=O)S(=O)(=O)O)[N+]#[C-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=N1)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)O)C=C(C2=O)S(=O)(=O)O)[N+]#[C-]

InChI

InChI=1S/C17H13N5O9S2/c1-3-31-16(24)13-15(18-2)20-17(19-13)22-21-12-10-5-4-9(32(25,26)27)6-8(10)7-11(14(12)23)33(28,29)30/h4-7H,3H2,1H3,(H2,19,20,22)(H,25,26,27)(H,28,29,30)/b21-12+