[2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H13BrN4O4 MolecularWeight: 453.24562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C20H13BrN4O4/c1-12-6-9-19(18(10-12)24-22-15-4-2-3-5-16(15)23-24)29-20(26)13-7-8-14(21)17(11-13)25(27)28/h2-11H,1H3