tert-butyl 3-(2-isocyano-3-methoxy-3-oxidanylidene-propyl)indole-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OC)[N+]#[C-]

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OC)[N+]#[C-]

InChI

InChI=1S/C18H20N2O4/c1-18(2,3)24-17(22)20-11-12(10-14(19-4)16(21)23-5)13-8-6-7-9-15(13)20/h6-9,11,14H,10H2,1-3,5H3