ethyl (2S)-3-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]imino-2-cyano-propanoate

Systemtic Name: ethyl (2S)-3-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]imino-2-cyano-propanoate Openeye Name: ethyl (2S)-3-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]imino-2-cyano-propanoate CAS Name: (2S)-3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]imino-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]imino-2-cyanopropanoate Traditional Name: (2S)-3-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]imino-2-cyano-propionic acid ethyl ester Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC(=O)NC1=C(C=C(C=C1)Br)C)C#N

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC(=O)NC1=C(C=C(C=C1)Br)C)C#N

InChI

InChI=1S/C15H16BrN3O3/c1-3-22-15(21)11(7-17)8-18-9-14(20)19-13-5-4-12(16)6-10(13)2/h4-6,8,11H,3,9H2,1-2H3,(H,19,20)/t11-/m1/s1