3-[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[2-[4-(4-nitrophenoxy)phenyl]-2-oxidanylidene-ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-[4-(4-nitrophenoxy)phenyl]-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-keto-2-[4-(4-nitrophenoxy)phenyl]ethyl]-1,2,3-benzotriazin-4-one Formula: C21H14N4O5 MolecularWeight: 402.35966

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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=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O5/c26-20(13-24-21(27)18-3-1-2-4-19(18)22-23-24)14-5-9-16(10-6-14)30-17-11-7-15(8-12-17)25(28)29/h1-12H,13H2