[phenyl(phenylsulfonyl)amino] 3-nitrobenzoate

Systemtic Name: [phenyl(phenylsulfonyl)amino] 3-nitrobenzoate Openeye Name: [N-(benzenesulfonyl)anilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [N-(benzenesulfonyl)anilino] ester IUPAC Name: [N-(benzenesulfonyl)anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (N-besylanilino) ester Formula: C19H14N2O6S MolecularWeight: 398.38926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H14N2O6S/c22-19(15-8-7-11-17(14-15)20(23)24)27-21(16-9-3-1-4-10-16)28(25,26)18-12-5-2-6-13-18/h1-14H