4-[[2-methoxy-5-(4-nitrophenyl)carbonyl-phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[2-methoxy-5-(4-nitrophenyl)carbonyl-phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[2-methoxy-5-(4-nitrobenzoyl)phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[2-methoxy-5-[(4-nitrophenyl)-oxomethyl]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[2-methoxy-5-(4-nitrobenzoyl)phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[2-methoxy-5-(4-nitrobenzoyl)phenyl]sulfonylamino]benzoic acid Formula: C21H16N2O8S MolecularWeight: 456.42534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H16N2O8S/c1-31-18-11-6-15(20(24)13-4-9-17(10-5-13)23(27)28)12-19(18)32(29,30)22-16-7-2-14(3-8-16)21(25)26/h2-12,22H,1H3,(H,25,26)