methyl 3-bromanyl-4-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-bromanyl-4-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-bromo-4-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethoxy]benzoate CAS Name: 3-bromo-4-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4-[2-(4-methoxy-2-nitroanilino)-2-oxoethoxy]benzoate Traditional Name: 3-bromo-4-[2-keto-2-(4-methoxy-2-nitro-anilino)ethoxy]benzoic acid methyl ester Formula: C17H15BrN2O7 MolecularWeight: 439.2142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O7/c1-25-11-4-5-13(14(8-11)20(23)24)19-16(21)9-27-15-6-3-10(7-12(15)18)17(22)26-2/h3-8H,9H2,1-2H3,(H,19,21)