ethyl 2-[(E)-N-[(4-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]-3-methyl-butanoate

Systemtic Name: ethyl 2-[(E)-N-[(4-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]-3-methyl-butanoate Openeye Name: ethyl 2-[(E)-N-[(4-bromobenzoyl)amino]-C-methyl-carbonimidoyl]-3-methyl-butanoate CAS Name: 2-[(1E)-1-[[(4-bromophenyl)-oxomethyl]hydrazinylidene]ethyl]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-N-[(4-bromobenzoyl)amino]-C-methylcarbonimidoyl]-3-methylbutanoate Traditional Name: 2-[(E)-N-[(4-bromobenzoyl)amino]-C-methyl-carbonimidoyl]-3-methyl-butyric acid ethyl ester Formula: C16H21BrN2O3 MolecularWeight: 369.25354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)C(=NNC(=O)C1=CC=C(C=C1)Br)C

Isomeric SMILES

CCOC(=O)C(C(C)C)/C(=N/NC(=O)C1=CC=C(C=C1)Br)/C

InChI

InChI=1S/C16H21BrN2O3/c1-5-22-16(21)14(10(2)3)11(4)18-19-15(20)12-6-8-13(17)9-7-12/h6-10,14H,5H2,1-4H3,(H,19,20)/b18-11+