1-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-3-methyl-urea

Systemtic Name: 1-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-3-methyl-urea Openeye Name: 1-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-3-methyl-urea CAS Name: 1-[1-benzotriazolyl-(4-nitrophenyl)methyl]-3-methylurea IUPAC Name: 1-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-3-methylurea Traditional Name: 1-[benzotriazol-1-yl-(4-nitrophenyl)methyl]-3-methyl-urea Formula: C15H14N6O3 MolecularWeight: 326.31006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CNC(=O)NC(C1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H14N6O3/c1-16-15(22)17-14(10-6-8-11(9-7-10)21(23)24)20-13-5-3-2-4-12(13)18-19-20/h2-9,14H,1H3,(H2,16,17,22)