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

Systemtic Name: 4-ethoxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[2-(4-fluorophenyl)-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-nitro-benzamide Formula: C21H16FN5O4 MolecularWeight: 421.381243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C21H16FN5O4/c1-2-31-20-10-3-13(11-19(20)27(29)30)21(28)23-15-6-9-17-18(12-15)25-26(24-17)16-7-4-14(22)5-8-16/h3-12H,2H2,1H3,(H,23,28)