[2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[2,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-(2,4-dihydroxyphenyl)-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-(2,4-dihydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-(2,4-dihydroxyphenyl)-2-keto-ethyl] ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=C(C=C2)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=C(C=C(C=C2)O)O

InChI

InChI=1S/C16H13NO7/c1-9-3-2-4-12(17(22)23)15(9)16(21)24-8-14(20)11-6-5-10(18)7-13(11)19/h2-7,18-19H,8H2,1H3