[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17BrN2O7 MolecularWeight: 465.25148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OCC=C

InChI

InChI=1S/C19H17BrN2O7/c1-3-8-28-16-7-4-12(9-17(16)27-2)19(24)29-11-18(23)21-15-6-5-13(22(25)26)10-14(15)20/h3-7,9-10H,1,8,11H2,2H3,(H,21,23)