methyl 1,1-bis[(4-chlorophenyl)carbonyl]-3-methyl-5-(1,2-oxazol-5-yl)pyrazol-1-ium-4-carboxylate

Systemtic Name: methyl 1,1-bis[(4-chlorophenyl)carbonyl]-3-methyl-5-(1,2-oxazol-5-yl)pyrazol-1-ium-4-carboxylate Openeye Name: methyl 1,1-bis(4-chlorobenzoyl)-5-isoxazol-5-yl-3-methyl-pyrazol-1-ium-4-carboxylate CAS Name: 1,1-bis[(4-chlorophenyl)-oxomethyl]-5-(5-isoxazolyl)-3-methyl-4-pyrazol-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1,1-bis(4-chlorobenzoyl)-3-methyl-5-(1,2-oxazol-5-yl)pyrazol-1-ium-4-carboxylate Traditional Name: 1,1-bis(4-chlorobenzoyl)-5-isoxazol-5-yl-3-methyl-pyrazol-1-ium-4-carboxylic acid methyl ester Formula: C23H16Cl2N3O5+ MolecularWeight: 485.29624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](C(=C1C(=O)OC)C2=CC=NO2)(C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=N[N+](C(=C1C(=O)OC)C2=CC=NO2)(C(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H16Cl2N3O5/c1-13-19(23(31)32-2)20(18-11-12-26-33-18)28(27-13,21(29)14-3-7-16(24)8-4-14)22(30)15-5-9-17(25)10-6-15/h3-12H,1-2H3/q+1