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

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-(2-methoxyethylamino)benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-(2-methoxyethylamino)benzenesulfonate CAS Name: 4-(2-methoxyethylamino)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-(2-methoxyethylamino)benzenesulfonate Traditional Name: 4-(2-methoxyethylamino)benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C15H17N3O6S MolecularWeight: 367.37698

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O6S/c1-23-9-8-17-11-2-5-13(6-3-11)25(21,22)24-12-4-7-14(16)15(10-12)18(19)20/h2-7,10,17H,8-9,16H2,1H3