[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H21BrN4O4 MolecularWeight: 497.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C(=C1NC2=CC=CC=C2N1)C#N)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C23H21BrN4O4/c1-13(2)20(28-22(30)14-7-3-4-8-16(14)24)23(31)32-12-19(29)15(11-25)21-26-17-9-5-6-10-18(17)27-21/h3-10,13,20,26-27H,12H2,1-2H3,(H,28,30)