ethyl 3-[1-(3-bromanyl-4-methoxy-phenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[1-(3-bromanyl-4-methoxy-phenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-(3-bromo-4-methoxy-phenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-(3-bromo-4-methoxyphenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-(3-bromo-4-methoxyphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-(3-bromo-4-methoxy-phenyl)ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C19H19BrN2O6 MolecularWeight: 451.26796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O6/c1-4-28-19(24)14-7-13(8-15(9-14)22(25)26)18(23)21-11(2)12-5-6-17(27-3)16(20)10-12/h5-11H,4H2,1-3H3,(H,21,23)