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

Systemtic Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(4-fluorophenyl)-6-methyl-5-benzotriazolyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(4-fluorophenyl)-6-methyl-benzotriazol-5-yl]-3-methyl-4-nitro-benzamide Formula: C21H16FN5O3 MolecularWeight: 405.381843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16FN5O3/c1-12-10-18-19(25-26(24-18)16-6-4-15(22)5-7-16)11-17(12)23-21(28)14-3-8-20(27(29)30)13(2)9-14/h3-11H,1-2H3,(H,23,28)