[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-3,5-dinitro-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-3,5-dinitro-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-dinitro-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C21H15N5O6 MolecularWeight: 433.3737

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-])N3N=C4C=CC=CC4=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CC(=C2C)[N+](=O)[O-])[N+](=O)[O-])N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H15N5O6/c1-12-7-8-20(19(9-12)24-22-16-5-3-4-6-17(16)23-24)32-21(27)15-10-14(25(28)29)11-18(13(15)2)26(30)31/h3-11H,1-2H3