methyl 6-chloranyl-3-[3-(dimethylamino)-3-oxidanylidene-propanoyl]-1-methyl-indole-2-carboxylate

Systemtic Name: methyl 6-chloranyl-3-[3-(dimethylamino)-3-oxidanylidene-propanoyl]-1-methyl-indole-2-carboxylate Openeye Name: methyl 6-chloro-3-[3-(dimethylamino)-3-oxo-propanoyl]-1-methyl-indole-2-carboxylate CAS Name: 6-chloro-3-[3-(dimethylamino)-1,3-dioxopropyl]-1-methyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-3-[3-(dimethylamino)-3-oxopropanoyl]-1-methylindole-2-carboxylate Traditional Name: 6-chloro-3-[3-(dimethylamino)-3-keto-propanoyl]-1-methyl-indole-2-carboxylic acid methyl ester Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=C1C(=O)OC)C(=O)CC(=O)N(C)C

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=C1C(=O)OC)C(=O)CC(=O)N(C)C

InChI

InChI=1S/C16H17ClN2O4/c1-18(2)13(21)8-12(20)14-10-6-5-9(17)7-11(10)19(3)15(14)16(22)23-4/h5-7H,8H2,1-4H3