[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate

Systemtic Name: [2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl] 2-bromanyl-3,4,5-trimethoxy-benzoate Openeye Name: [2-(1-naphthylamino)-2-oxo-ethyl] 2-bromo-3,4,5-trimethoxy-benzoate CAS Name: 2-bromo-3,4,5-trimethoxybenzoic acid [2-(1-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-1-ylamino)-2-oxoethyl] 2-bromo-3,4,5-trimethoxybenzoate Traditional Name: 2-bromo-3,4,5-trimethoxy-benzoic acid [2-keto-2-(1-naphthylamino)ethyl] ester Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)OCC(=O)NC2=CC=CC3=CC=CC=C32)Br)OC)OC

InChI

InChI=1S/C22H20BrNO6/c1-27-17-11-15(19(23)21(29-3)20(17)28-2)22(26)30-12-18(25)24-16-10-6-8-13-7-4-5-9-14(13)16/h4-11H,12H2,1-3H3,(H,24,25)