pyridin-3-yl 4-methyl-3-nitro-benzoate

Systemtic Name: pyridin-3-yl 4-methyl-3-nitro-benzoate Openeye Name: 3-pyridyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 3-pyridyl ester Formula: C13H10N2O4 MolecularWeight: 258.2295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CN=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H10N2O4/c1-9-4-5-10(7-12(9)15(17)18)13(16)19-11-3-2-6-14-8-11/h2-8H,1H3