[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17BrN2O8 MolecularWeight: 469.24018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC)OC

InChI

InChI=1S/C18H17BrN2O8/c1-26-14-8-16(28-3)15(27-2)7-11(14)18(23)29-9-17(22)20-13-5-4-10(21(24)25)6-12(13)19/h4-8H,9H2,1-3H3,(H,20,22)