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

Systemtic Name: 3-[5-[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-[(E)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(E)-(5-bromo-2-keto-indolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C17H15BrN2O3 MolecularWeight: 375.2166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O3/c1-9-10(2-5-16(21)22)8-19-15(9)7-13-12-6-11(18)3-4-14(12)20-17(13)23/h3-4,6-8,19H,2,5H2,1H3,(H,20,23)(H,21,22)/b13-7+