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

Systemtic Name: [3-(benzotriazol-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate Openeye Name: [3-(benzotriazol-2-yl)-4-methyl-phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [3-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [3-(benzotriazol-2-yl)-4-methylphenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [3-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H13N5O6 MolecularWeight: 419.34712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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