4-ethoxy-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Formula: C22H18FN5O4 MolecularWeight: 435.407823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN5O4/c1-3-32-21-9-4-14(11-20(21)28(30)31)22(29)24-17-12-19-18(10-13(17)2)25-27(26-19)16-7-5-15(23)6-8-16/h4-12H,3H2,1-2H3,(H,24,29)