(6-methylpyridin-3-yl) 3-methyl-4-nitro-benzoate

Systemtic Name: (6-methylpyridin-3-yl) 3-methyl-4-nitro-benzoate Openeye Name: (6-methyl-3-pyridyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (6-methyl-3-pyridinyl) ester IUPAC Name: (6-methylpyridin-3-yl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (6-methyl-3-pyridyl) ester Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N2O4/c1-9-7-11(4-6-13(9)16(18)19)14(17)20-12-5-3-10(2)15-8-12/h3-8H,1-2H3