pyridin-2-ylmethyl 4-methyl-3-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-methyl-3-nitro-benzoate Openeye Name: 2-pyridylmethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 2-pyridylmethyl ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=N2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O4/c1-10-5-6-11(8-13(10)16(18)19)14(17)20-9-12-4-2-3-7-15-12/h2-8H,9H2,1H3