[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C17H15BrN2O6 MolecularWeight: 423.2148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CC=C(C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H15BrN2O6/c1-25-15-7-6-13(20(23)24)9-14(15)19-16(21)10-26-17(22)8-11-2-4-12(18)5-3-11/h2-7,9H,8,10H2,1H3,(H,19,21)