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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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)[N+](=O)[O-])C)N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C)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)15-8-9-18(25(27)28)14(2)12-15/h3-12H,1-2H3