[2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H13ClN4O4 MolecularWeight: 408.79462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN4O4/c1-12-6-9-19(18(10-12)24-22-16-4-2-3-5-17(16)23-24)29-20(26)14-11-13(25(27)28)7-8-15(14)21/h2-11H,1H3