2-azanyl-3-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)-4-nitro-benzoic acid

Systemtic Name: 2-azanyl-3-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)-4-nitro-benzoic acid Openeye Name: 2-amino-3-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]-4-nitro-benzoic acid CAS Name: 2-amino-3-[5-methyl-2-(2-pyridinyl)-3-pyrazolyl]-4-nitrobenzoic acid IUPAC Name: 2-amino-3-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-4-nitrobenzoic acid Traditional Name: 2-amino-3-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]-4-nitro-benzoic acid Formula: C16H13N5O4 MolecularWeight: 339.30552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2=C(C=CC(=C2N)C(=O)O)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

CC1=NN(C(=C1)C2=C(C=CC(=C2N)C(=O)O)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C16H13N5O4/c1-9-8-12(20(19-9)13-4-2-3-7-18-13)14-11(21(24)25)6-5-10(15(14)17)16(22)23/h2-8H,17H2,1H3,(H,22,23)