(3-methyl-2-pyridin-2-yl-phenyl) 3-nitrobenzoate

Systemtic Name: (3-methyl-2-pyridin-2-yl-phenyl) 3-nitrobenzoate Openeye Name: [3-methyl-2-(2-pyridyl)phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [3-methyl-2-(2-pyridinyl)phenyl] ester IUPAC Name: (3-methyl-2-pyridin-2-ylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-methyl-2-(2-pyridyl)phenyl] ester Formula: C19H14N2O4 MolecularWeight: 334.32546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C19H14N2O4/c1-13-6-4-10-17(18(13)16-9-2-3-11-20-16)25-19(22)14-7-5-8-15(12-14)21(23)24/h2-12H,1H3