[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17BrN2O7 MolecularWeight: 453.24078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O7/c1-26-15-6-3-11(7-16(15)27-2)8-18(23)28-10-17(22)20-14-5-4-12(21(24)25)9-13(14)19/h3-7,9H,8,10H2,1-2H3,(H,20,22)