[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenechromen-7-yl)oxyethanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 2-(2-oxochromen-7-yl)oxyacetate CAS Name: 2-[(2-oxo-1-benzopyran-7-yl)oxy]acetic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(2-oxochromen-7-yl)oxyacetate Traditional Name: 2-(2-ketochromen-7-yl)oxyacetic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C20H16BrNO6 MolecularWeight: 446.24814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)COC2=CC3=C(C=C2)C=CC(=O)O3

InChI

InChI=1S/C20H16BrNO6/c1-12-8-14(21)4-6-16(12)22-18(23)10-27-20(25)11-26-15-5-2-13-3-7-19(24)28-17(13)9-15/h2-9H,10-11H2,1H3,(H,22,23)