3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylate

Systemtic Name: 3-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylate Openeye Name: 5-chloro-3-[2-oxo-2-(sec-butylamino)ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylate IUPAC Name: 3-[2-(butan-2-ylamino)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[2-keto-2-(sec-butylamino)ethyl]-1H-indole-2-carboxylate Formula: C15H16ClN2O3- MolecularWeight: 307.75214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C15H17ClN2O3/c1-3-8(2)17-13(19)7-11-10-6-9(16)4-5-12(10)18-14(11)15(20)21/h4-6,8,18H,3,7H2,1-2H3,(H,17,19)(H,20,21)/p-1