[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 5-nitro-2-oxidanyl-benzoate

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 5-nitro-2-oxidanyl-benzoate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C22H16N2O7/c25-19-11-10-17(24(29)30)12-18(19)22(28)31-13-20(26)14-6-8-16(9-7-14)23-21(27)15-4-2-1-3-5-15/h1-12,25H,13H2,(H,23,27)