1-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3-(3-nitrophenyl)urea Openeye Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-nitrophenyl)urea CAS Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-nitrophenyl)urea Traditional Name: 1-[4-bromo-2-(2H-tetrazol-5-yl)phenyl]-3-(3-nitrophenyl)urea Formula: C14H10BrN7O3 MolecularWeight: 404.1783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=C(C=C(C=C2)Br)C3=NNN=N3

InChI

InChI=1S/C14H10BrN7O3/c15-8-4-5-12(11(6-8)13-18-20-21-19-13)17-14(23)16-9-2-1-3-10(7-9)22(24)25/h1-7H,(H2,16,17,23)(H,18,19,20,21)