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

Systemtic Name: 3-[2-[(E)-(5-bromanyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[2-[(E)-(5-bromo-2-oxo-indolin-3-ylidene)methyl]-4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[2-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[2-[(E)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-ethoxycarbonyl-5-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[2-[(E)-(5-bromo-2-keto-indolin-3-ylidene)methyl]-4-carbethoxy-5-methyl-1H-pyrrol-3-yl]propionic acid Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1CCC(=O)O)C=C2C3=C(C=CC(=C3)Br)NC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1CCC(=O)O)/C=C/2\C3=C(C=CC(=C3)Br)NC2=O)C

InChI

InChI=1S/C20H19BrN2O5/c1-3-28-20(27)18-10(2)22-16(12(18)5-7-17(24)25)9-14-13-8-11(21)4-6-15(13)23-19(14)26/h4,6,8-9,22H,3,5,7H2,1-2H3,(H,23,26)(H,24,25)/b14-9+