methyl 6-chloranyl-4-[(E)-5-ethoxy-5-oxidanylidene-pent-3-enyl]-3-iodanyl-1H-indole-2-carboxylate

Systemtic Name: methyl 6-chloranyl-4-[(E)-5-ethoxy-5-oxidanylidene-pent-3-enyl]-3-iodanyl-1H-indole-2-carboxylate Openeye Name: methyl 6-chloro-4-[(E)-5-ethoxy-5-oxo-pent-3-enyl]-3-iodo-1H-indole-2-carboxylate CAS Name: 6-chloro-4-[(E)-5-ethoxy-5-oxopent-3-enyl]-3-iodo-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-4-[(E)-5-ethoxy-5-oxopent-3-enyl]-3-iodo-1H-indole-2-carboxylate Traditional Name: 6-chloro-4-[(E)-5-ethoxy-5-keto-pent-3-enyl]-3-iodo-1H-indole-2-carboxylic acid methyl ester Formula: C17H17ClINO4 MolecularWeight: 461.67865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClINO4/c1-3-24-13(21)7-5-4-6-10-8-11(18)9-12-14(10)15(19)16(20-12)17(22)23-2/h5,7-9,20H,3-4,6H2,1-2H3/b7-5+