3-[(5-azanylpyridin-2-yl)amino]-4-methyl-benzoate

Systemtic Name: 3-[(5-azanylpyridin-2-yl)amino]-4-methyl-benzoate Openeye Name: 3-[(5-amino-2-pyridyl)amino]-4-methyl-benzoate CAS Name: 3-[(5-amino-2-pyridinyl)amino]-4-methylbenzoate IUPAC Name: 3-[(5-aminopyridin-2-yl)amino]-4-methylbenzoate Traditional Name: 3-[(5-amino-2-pyridyl)amino]-4-methyl-benzoate Formula: C13H12N3O2- MolecularWeight: 242.25328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC=C(C=C2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC2=NC=C(C=C2)N

InChI

InChI=1S/C13H13N3O2/c1-8-2-3-9(13(17)18)6-11(8)16-12-5-4-10(14)7-15-12/h2-7H,14H2,1H3,(H,15,16)(H,17,18)/p-1