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

Systemtic Name: 3-[5-[(E)-(5-chloranyl-4-methyl-2-oxidanylidene-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Openeye Name: 3-[5-[(E)-(5-chloro-4-methyl-2-oxo-indolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid CAS Name: 3-[5-[(E)-(5-chloro-4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid IUPAC Name: 3-[5-[(E)-(5-chloro-4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid Traditional Name: 3-[5-[(E)-(5-chloro-2-keto-4-methyl-indolin-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propionic acid Formula: C18H17ClN2O3 MolecularWeight: 344.79218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=CC3=C(C(=CN3)CCC(=O)O)C)C(=O)N2)Cl

Isomeric SMILES

CC1=C(C=CC2=C1/C(=C\C3=C(C(=CN3)CCC(=O)O)C)/C(=O)N2)Cl

InChI

InChI=1S/C18H17ClN2O3/c1-9-11(3-6-16(22)23)8-20-15(9)7-12-17-10(2)13(19)4-5-14(17)21-18(12)24/h4-5,7-8,20H,3,6H2,1-2H3,(H,21,24)(H,22,23)/b12-7+