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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O4/c1-13-7-10-20(19(11-13)24-22-16-5-3-4-6-17(16)23-24)29-21(26)15-9-8-14(2)18(12-15)25(27)28/h3-12H,1-2H3