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

Systemtic Name: 2-azanyl-5-[(3-nitrophenyl)carbonylamino]benzene-1,4-disulfonic acid Openeye Name: 2-amino-5-[(3-nitrobenzoyl)amino]benzene-1,4-disulfonic acid CAS Name: 2-amino-5-[[(3-nitrophenyl)-oxomethyl]amino]benzene-1,4-disulfonic acid IUPAC Name: 2-amino-5-[(3-nitrobenzoyl)amino]benzene-1,4-disulfonic acid Traditional Name: 2-amino-5-[(3-nitrobenzoyl)amino]benzene-1,4-disulfonic acid Formula: C13H11N3O9S2 MolecularWeight: 417.37114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O9S2/c14-9-5-12(27(23,24)25)10(6-11(9)26(20,21)22)15-13(17)7-2-1-3-8(4-7)16(18)19/h1-6H,14H2,(H,15,17)(H,20,21,22)(H,23,24,25)