2-azanyl-5-[(4-chloranyl-3-nitro-phenyl)carbonylamino]benzene-1,4-disulfonic acid

Systemtic Name: 2-azanyl-5-[(4-chloranyl-3-nitro-phenyl)carbonylamino]benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-[(4-chloro-3-nitro-benzoyl)amino]benzene-1,4-disulfonic acid CAS Name: 2-amino-5-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-[(4-chloro-3-nitrobenzoyl)amino]benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-[(4-chloro-3-nitro-benzoyl)amino]benzene-1,4-disulfonic acid Formula: C13H10ClN3O9S2 MolecularWeight: 451.8162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C(=C2)S(=O)(=O)O)N)S(=O)(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=C(C=C(C(=C2)S(=O)(=O)O)N)S(=O)(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H10ClN3O9S2/c14-7-2-1-6(3-10(7)17(19)20)13(18)16-9-5-11(27(21,22)23)8(15)4-12(9)28(24,25)26/h1-5H,15H2,(H,16,18)(H,21,22,23)(H,24,25,26)