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

Systemtic Name: methyl 2-[bis[2-[(2-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethanoate Openeye Name: methyl 2-[bis[2-(2-bromo-4-methyl-anilino)-2-oxo-ethyl]amino]acetate CAS Name: 2-[bis[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[bis[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]acetate Traditional Name: 2-[bis[2-(2-bromo-4-methyl-anilino)-2-keto-ethyl]amino]acetic acid methyl ester Formula: C21H23Br2N3O4 MolecularWeight: 541.23302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN(CC(=O)NC2=C(C=C(C=C2)C)Br)CC(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN(CC(=O)NC2=C(C=C(C=C2)C)Br)CC(=O)OC)Br

InChI

InChI=1S/C21H23Br2N3O4/c1-13-4-6-17(15(22)8-13)24-19(27)10-26(12-21(29)30-3)11-20(28)25-18-7-5-14(2)9-16(18)23/h4-9H,10-12H2,1-3H3,(H,24,27)(H,25,28)