1-(2-chloranyl-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(2-chloranyl-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid Openeye Name: 1-(2-chloro-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid CAS Name: 1-(2-chloro-5-methoxyphenyl)-3-(2,4-dinitrophenyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(2-chloro-5-methoxyphenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid Traditional Name: 1-(2-chloro-5-methoxy-phenyl)-3-(2,4-dinitrophenyl)pyrazole-4-carboxylic acid Formula: C17H11ClN4O7 MolecularWeight: 418.74484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)N2C=C(C(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)N2C=C(C(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H11ClN4O7/c1-29-10-3-5-13(18)15(7-10)20-8-12(17(23)24)16(19-20)11-4-2-9(21(25)26)6-14(11)22(27)28/h2-8H,1H3,(H,23,24)