[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c1-18(27(2,24)25)13-9-7-12(8-10-13)16(20)11-26-17(21)14-5-3-4-6-15(14)19(22)23/h3-10H,11H2,1-2H3