ethyl 2-[4-azanyl-5-bromanyl-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[4-azanyl-5-bromanyl-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxo-butanoate CAS Name: 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-2-methyl-3-oxobutanoate Traditional Name: 2-[4-amino-5-bromo-2-cyano-3-(methylamino)phenyl]-3-keto-2-methyl-butyric acid ethyl ester Formula: C15H18BrN3O3 MolecularWeight: 368.22572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC(=C(C(=C1C#N)NC)N)Br)C(=O)C

Isomeric SMILES

CCOC(=O)C(C)(C1=CC(=C(C(=C1C#N)NC)N)Br)C(=O)C

InChI

InChI=1S/C15H18BrN3O3/c1-5-22-14(21)15(3,8(2)20)10-6-11(16)12(18)13(19-4)9(10)7-17/h6,19H,5,18H2,1-4H3