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

Systemtic Name: methyl 4-[2-[(4-bromanyl-2-chloranyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(4-bromo-2-chloro-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-2-chloroanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(4-bromo-2-chloro-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H12BrClN2O6 MolecularWeight: 443.63328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrClN2O6/c1-25-16(22)9-2-5-14(13(6-9)20(23)24)26-8-15(21)19-12-4-3-10(17)7-11(12)18/h2-7H,8H2,1H3,(H,19,21)