1-(2-bromophenyl)-3-[4-nitro-2-(pyridin-3-ylsulfonylamino)phenyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[4-nitro-2-(pyridin-3-ylsulfonylamino)phenyl]urea Openeye Name: 1-(2-bromophenyl)-3-[4-nitro-2-(3-pyridylsulfonylamino)phenyl]urea CAS Name: 1-(2-bromophenyl)-3-[4-nitro-2-(3-pyridinylsulfonylamino)phenyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[4-nitro-2-(pyridin-3-ylsulfonylamino)phenyl]urea Traditional Name: 1-(2-bromophenyl)-3-[4-nitro-2-(3-pyridylsulfonylamino)phenyl]urea Formula: C18H14BrN5O5S MolecularWeight: 492.30326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CN=CC=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])NS(=O)(=O)C3=CN=CC=C3)Br

InChI

InChI=1S/C18H14BrN5O5S/c19-14-5-1-2-6-15(14)21-18(25)22-16-8-7-12(24(26)27)10-17(16)23-30(28,29)13-4-3-9-20-11-13/h1-11,23H,(H2,21,22,25)