[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-10-4-3-5-14(20(25)26)17(10)18(24)27-9-16(23)12-6-7-15(22)13(8-12)19-11(2)21/h3-8,22H,9H2,1-2H3,(H,19,21)