(4-azanyl-3-nitro-phenyl) 4-(2-hydroxyethylamino)benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-(2-hydroxyethylamino)benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-(2-hydroxyethylamino)benzenesulfonate CAS Name: 4-(2-hydroxyethylamino)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-(2-hydroxyethylamino)benzenesulfonate Traditional Name: 4-(2-hydroxyethylamino)benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C14H15N3O6S MolecularWeight: 353.3504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCO)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NCCO)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O6S/c15-13-6-3-11(9-14(13)17(19)20)23-24(21,22)12-4-1-10(2-5-12)16-7-8-18/h1-6,9,16,18H,7-8,15H2