ethyl 4-[[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: ethyl 4-[[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]benzoate CAS Name: 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]benzoate Traditional Name: 4-[[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl]amino]benzoic acid ethyl ester Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C20H22BrN3O4/c1-3-28-20(27)14-4-7-16(8-5-14)22-11-18(25)23-12-19(26)24-17-9-6-15(21)10-13(17)2/h4-10,22H,3,11-12H2,1-2H3,(H,23,25)(H,24,26)