3-[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-(2-chloranyl-6-nitro-phenoxy)phenyl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(2-chloro-6-nitrophenoxy)phenyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-[4-(2-chloro-6-nitro-phenoxy)phenyl]-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C21H13ClN4O5 MolecularWeight: 436.80472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)C3=CC=C(C=C3)OC4=C(C=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O5/c22-16-5-3-7-18(26(29)30)20(16)31-14-10-8-13(9-11-14)19(27)12-25-21(28)15-4-1-2-6-17(15)23-24-25/h1-11H,12H2