6-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-[[2-(aminocarbonylamino)-4-(methylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid Openeye Name: 6-[4-(methylamino)-2-ureido-phenyl]azonaphthalene-1,3-disulfonic acid CAS Name: 6-[2-(carbamoylamino)-4-(methylamino)phenyl]azonaphthalene-1,3-disulfonic acid IUPAC Name: 6-[[2-(carbamoylamino)-4-(methylamino)phenyl]diazenyl]naphthalene-1,3-disulfonic acid Traditional Name: 6-[4-(methylamino)-2-ureido-phenyl]azonaphthalene-1,3-disulfonic acid Formula: C18H17N5O7S2 MolecularWeight: 479.48688

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC(=C(C=C1)N=NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N

Isomeric SMILES

CNC1=CC(=C(C=C1)N=NC2=CC3=CC(=CC(=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N

InChI

InChI=1S/C18H17N5O7S2/c1-20-11-3-5-15(16(8-11)21-18(19)24)23-22-12-2-4-14-10(6-12)7-13(31(25,26)27)9-17(14)32(28,29)30/h2-9,20H,1H3,(H3,19,21,24)(H,25,26,27)(H,28,29,30)