[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2,4-dinitrobenzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2,4-dinitrobenzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H13N5O6 MolecularWeight: 419.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13N5O6/c1-12-6-9-19(18(10-12)23-21-15-4-2-3-5-16(15)22-23)31-20(26)14-8-7-13(24(27)28)11-17(14)25(29)30/h2-11H,1H3