methyl 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-(4-hydroxyphenyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-(4-hydroxyphenyl)ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6/c1-25-17(22)13-8-12(9-14(10-13)19(23)24)16(21)18-7-6-11-2-4-15(20)5-3-11/h2-5,8-10,20H,6-7H2,1H3,(H,18,21)