[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(furan-2-ylmethylamino)-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 4-(2-furylmethylamino)-4-oxo-butanoate CAS Name: 4-(2-furanylmethylamino)-4-oxobutanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 4-(furan-2-ylmethylamino)-4-oxobutanoate Traditional Name: 4-(2-furfurylamino)-4-keto-butyric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C19H21BrN2O5/c1-12-13(2)16(6-5-15(12)20)22-18(24)11-27-19(25)8-7-17(23)21-10-14-4-3-9-26-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,21,23)(H,22,24)