ethyl 4-[4-[(Z)-N-[(2-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]butanoate

Systemtic Name: ethyl 4-[4-[(Z)-N-[(2-bromophenyl)carbonylamino]-C-methyl-carbonimidoyl]phenyl]butanoate Openeye Name: ethyl 4-[4-[(Z)-N-[(2-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]butanoate CAS Name: 4-[4-[(1Z)-1-[[(2-bromophenyl)-oxomethyl]hydrazinylidene]ethyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]butanoate Traditional Name: 4-[4-[(Z)-N-[(2-bromobenzoyl)amino]-C-methyl-carbonimidoyl]phenyl]butyric acid ethyl ester Formula: C21H23BrN2O3 MolecularWeight: 431.32292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CCOC(=O)CCCC1=CC=C(C=C1)/C(=N\NC(=O)C2=CC=CC=C2Br)/C

InChI

InChI=1S/C21H23BrN2O3/c1-3-27-20(25)10-6-7-16-11-13-17(14-12-16)15(2)23-24-21(26)18-8-4-5-9-19(18)22/h4-5,8-9,11-14H,3,6-7,10H2,1-2H3,(H,24,26)/b23-15-