4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoic acid; hydrogen carbonate

Systemtic Name: 4-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]butanoic acid; hydrogen carbonate Openeye Name: 4-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)butanoic acid; hydrogen carbonate CAS Name: 4-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)butanoic acid; hydrogen carbonate IUPAC Name: 4-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)butanoic acid; hydrogen carbonate Traditional Name: 4-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)butyric acid bicarbonate Formula: C20H19N2O7- MolecularWeight: 399.37406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)O.C(=O)(O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)CCCC(=O)O.C(=O)(O)[O-]

InChI

InChI=1S/C19H18N2O4.CH2O3/c22-17(23)13-7-12-16-18(24)20(14-8-3-1-4-9-14)21(19(16)25)15-10-5-2-6-11-15;2-1(3)4/h1-6,8-11,16H,7,12-13H2,(H,22,23);(H2,2,3,4)/p-1