ethyl 3-(5-bromanyl-1H-indol-3-yl)-2-isocyanato-butanoate

Systemtic Name: ethyl 3-(5-bromanyl-1H-indol-3-yl)-2-isocyanato-butanoate Openeye Name: ethyl 3-(5-bromo-1H-indol-3-yl)-2-isocyanato-butanoate CAS Name: 3-(5-bromo-1H-indol-3-yl)-2-isocyanatobutanoic acid ethyl ester IUPAC Name: ethyl 3-(5-bromo-1H-indol-3-yl)-2-isocyanatobutanoate Traditional Name: 3-(5-bromo-1H-indol-3-yl)-2-isocyanato-butyric acid ethyl ester Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C1=CNC2=C1C=C(C=C2)Br)N=C=O

Isomeric SMILES

CCOC(=O)C(C(C)C1=CNC2=C1C=C(C=C2)Br)N=C=O

InChI

InChI=1S/C15H15BrN2O3/c1-3-21-15(20)14(18-8-19)9(2)12-7-17-13-5-4-10(16)6-11(12)13/h4-7,9,14,17H,3H2,1-2H3