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

Systemtic Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-nitrobenzoate Openeye Name: [2-(benzotriazol-2-yl)-4-methyl-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(2-benzotriazolyl)-4-methylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-methylphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(benzotriazol-2-yl)-4-methyl-phenyl] ester Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O4/c1-13-9-10-19(28-20(25)14-5-4-6-15(12-14)24(26)27)18(11-13)23-21-16-7-2-3-8-17(16)22-23/h2-12H,1H3