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

Systemtic Name: [2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-azanyl-4-chloranyl-benzoate Openeye Name: [2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-amino-4-chloro-benzoate CAS Name: 2-amino-4-chlorobenzoic acid [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-4-chlorobenzoate Traditional Name: 2-amino-4-chloro-benzoic acid [2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C18H17BrClN3O4 MolecularWeight: 454.70228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)N

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)COC(=O)C2=C(C=C(C=C2)Cl)N

InChI

InChI=1S/C18H17BrClN3O4/c1-10-6-11(19)2-5-15(10)23-16(24)8-22-17(25)9-27-18(26)13-4-3-12(20)7-14(13)21/h2-7H,8-9,21H2,1H3,(H,22,25)(H,23,24)