methyl 3-tert-butyl-2-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)indole-1-carboxylate

Systemtic Name: methyl 3-tert-butyl-2-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)indole-1-carboxylate Openeye Name: methyl 3-tert-butyl-2-(1-cyano-2-methoxy-2-oxo-ethyl)indole-1-carboxylate CAS Name: 3-tert-butyl-2-(1-cyano-2-methoxy-2-oxoethyl)-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-tert-butyl-2-(1-cyano-2-methoxy-2-oxoethyl)indole-1-carboxylate Traditional Name: 3-tert-butyl-2-(1-cyano-2-keto-2-methoxy-ethyl)indole-1-carboxylic acid methyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(N(C2=CC=CC=C21)C(=O)OC)C(C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=C(N(C2=CC=CC=C21)C(=O)OC)C(C#N)C(=O)OC

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)14-11-8-6-7-9-13(11)20(17(22)24-5)15(14)12(10-19)16(21)23-4/h6-9,12H,1-5H3