3-bromanyl-6-chloranyl-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pent-3-enyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-bromanyl-6-chloranyl-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pent-3-enyl]-1H-indole-2-carboxylic acid Openeye Name: 3-bromo-4-[(E)-5-tert-butoxy-5-oxo-pent-3-enyl]-6-chloro-1H-indole-2-carboxylic acid CAS Name: 3-bromo-6-chloro-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-bromo-6-chloro-4-[(E)-5-[(2-methylpropan-2-yl)oxy]-5-oxopent-3-enyl]-1H-indole-2-carboxylic acid Traditional Name: 3-bromo-4-[(E)-5-tert-butoxy-5-keto-pent-3-enyl]-6-chloro-1H-indole-2-carboxylic acid Formula: C18H19BrClNO4 MolecularWeight: 428.70476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C=CCCC1=CC(=CC2=C1C(=C(N2)C(=O)O)Br)Cl

Isomeric SMILES

CC(C)(C)OC(=O)/C=C/CCC1=CC(=CC2=C1C(=C(N2)C(=O)O)Br)Cl

InChI

InChI=1S/C18H19BrClNO4/c1-18(2,3)25-13(22)7-5-4-6-10-8-11(20)9-12-14(10)15(19)16(21-12)17(23)24/h5,7-9,21H,4,6H2,1-3H3,(H,23,24)/b7-5+