3-[5-[(E)-(5-iodanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

Systemtic Name: 3-[5-[(E)-(5-iodanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-[(E)-(5-iodo-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[(E)-(5-iodo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(E)-(5-iodo-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(E)-(5-iodo-2-keto-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid Formula: C18H17IN2O3 MolecularWeight: 436.24365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=C(C=CC(=C3)I)NC2=O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)O)C)/C=C/2\C3=C(C=CC(=C3)I)NC2=O

InChI

InChI=1S/C18H17IN2O3/c1-9-12(4-6-17(22)23)10(2)20-16(9)8-14-13-7-11(19)3-5-15(13)21-18(14)24/h3,5,7-8,20H,4,6H2,1-2H3,(H,21,24)(H,22,23)/b14-8+