(4-azanyl-3-nitro-phenyl) 4-(butylamino)benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 4-(butylamino)benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 4-(butylamino)benzenesulfonate CAS Name: 4-(butylamino)benzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 4-(butylamino)benzenesulfonate Traditional Name: 4-(butylamino)benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-2-3-10-18-12-4-7-14(8-5-12)25(22,23)24-13-6-9-15(17)16(11-13)19(20)21/h4-9,11,18H,2-3,10,17H2,1H3