[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)oxyethanoate

Systemtic Name: [2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)oxyethanoate Openeye Name: [2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)oxy]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)oxy]acetic acid [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)oxyacetate Traditional Name: 2-(1-bromo-2-naphthoxy)acetic acid [2-keto-2-(2-methoxy-4-nitro-anilino)ethyl] ester Formula: C21H17BrN2O7 MolecularWeight: 489.27288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H17BrN2O7/c1-29-18-10-14(24(27)28)7-8-16(18)23-19(25)11-31-20(26)12-30-17-9-6-13-4-2-3-5-15(13)21(17)22/h2-10H,11-12H2,1H3,(H,23,25)