[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate

Systemtic Name: [2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylideneazepan-1-yl)ethanoate Openeye Name: [2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl] 2-(2-oxoazepan-1-yl)acetate CAS Name: 2-(2-oxo-1-azepanyl)acetic acid [2-(3-bromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate Traditional Name: 2-(2-ketoazepan-1-yl)acetic acid [2-(3-bromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H21BrN2O4 MolecularWeight: 397.26364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2CCCCCC2=O)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2CCCCCC2=O)Br

InChI

InChI=1S/C17H21BrN2O4/c1-12-6-7-13(9-14(12)18)19-15(21)11-24-17(23)10-20-8-4-2-3-5-16(20)22/h6-7,9H,2-5,8,10-11H2,1H3,(H,19,21)