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

Systemtic Name: 2-[[2-(4-chloranyl-3-nitro-phenyl)-5-methyl-pyrazol-3-yl]amino]benzoic acid Openeye Name: 2-[[2-(4-chloro-3-nitro-phenyl)-5-methyl-pyrazol-3-yl]amino]benzoic acid CAS Name: 2-[[2-(4-chloro-3-nitrophenyl)-5-methyl-3-pyrazolyl]amino]benzoic acid IUPAC Name: 2-[[2-(4-chloro-3-nitrophenyl)-5-methylpyrazol-3-yl]amino]benzoic acid Traditional Name: 2-[[2-(4-chloro-3-nitro-phenyl)-5-methyl-pyrazol-3-yl]amino]benzoic acid Formula: C17H13ClN4O4 MolecularWeight: 372.76252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O4/c1-10-8-16(19-14-5-3-2-4-12(14)17(23)24)21(20-10)11-6-7-13(18)15(9-11)22(25)26/h2-9,19H,1H3,(H,23,24)