(E)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-(3-nitrophenyl)acrylamide Formula: C22H16FN5O3 MolecularWeight: 417.392543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN5O3/c1-14-11-20-21(26-27(25-20)17-8-6-16(23)7-9-17)13-19(14)24-22(29)10-5-15-3-2-4-18(12-15)28(30)31/h2-13H,1H3,(H,24,29)/b10-5+