2-[3-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methyl-indol-1-yl]propanoic acid

Systemtic Name: 2-[3-[[3,5-bis(oxidanylidene)-1-phenyl-pyrazolidin-4-ylidene]methyl]-2-methyl-indol-1-yl]propanoic acid Openeye Name: 2-[3-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methyl-indol-1-yl]propanoic acid CAS Name: 2-[3-[(3,5-dioxo-1-phenyl-4-pyrazolidinylidene)methyl]-2-methyl-1-indolyl]propanoic acid IUPAC Name: 2-[3-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]-2-methylindol-1-yl]propanoic acid Traditional Name: 2-[3-[(3,5-diketo-1-phenyl-pyrazolidin-4-ylidene)methyl]-2-methyl-indol-1-yl]propionic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(C)C(=O)O)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(C)C(=O)O)C=C3C(=O)NN(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4/c1-13-17(16-10-6-7-11-19(16)24(13)14(2)22(28)29)12-18-20(26)23-25(21(18)27)15-8-4-3-5-9-15/h3-12,14H,1-2H3,(H,23,26)(H,28,29)