2-[(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)amino]-4-nitro-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=N3

Isomeric SMILES

CC1=NN(C(=C1)NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=N3

InChI

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