2-[(1-butyl-4,5-diisocyano-imidazol-2-yl)diazenyl]-5-(dimethylamino)benzoic acid

Systemtic Name: 2-[(1-butyl-4,5-diisocyano-imidazol-2-yl)diazenyl]-5-(dimethylamino)benzoic acid Openeye Name: 2-(1-butyl-4,5-diisocyano-imidazol-2-yl)azo-5-(dimethylamino)benzoic acid CAS Name: 2-[(1-butyl-4,5-diisocyano-2-imidazolyl)azo]-5-(dimethylamino)benzoic acid IUPAC Name: 2-[(1-butyl-4,5-diisocyanoimidazol-2-yl)diazenyl]-5-(dimethylamino)benzoic acid Traditional Name: 2-(1-butyl-4,5-diisocyano-imidazol-2-yl)azo-5-(dimethylamino)benzoic acid Formula: C18H19N7O2 MolecularWeight: 365.38916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1N=NC2=C(C=C(C=C2)N(C)C)C(=O)O)[N+]#[C-])[N+]#[C-]

Isomeric SMILES

CCCCN1C(=C(N=C1N=NC2=C(C=C(C=C2)N(C)C)C(=O)O)[N+]#[C-])[N+]#[C-]

InChI

InChI=1S/C18H19N7O2/c1-6-7-10-25-16(20-3)15(19-2)21-18(25)23-22-14-9-8-12(24(4)5)11-13(14)17(26)27/h8-9,11H,6-7,10H2,1,4-5H3,(H,26,27)