3-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4-nitro-2-thiophen-2-yl-phenoxy)methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4-nitro-2-thiophen-2-ylphenoxy)methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-nitro-2-(2-thienyl)phenoxy]methyl]-1,2,3-benzotriazin-4-one Formula: C18H12N4O4S MolecularWeight: 380.37728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C18H12N4O4S/c23-18-13-4-1-2-5-15(13)19-20-21(18)11-26-16-8-7-12(22(24)25)10-14(16)17-6-3-9-27-17/h1-10H,11H2