2-[[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[4-[(3,5-dinitrophenyl)carbonylamino]phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid CAS Name: 2-[[4-[[(3,5-dinitrophenyl)-oxomethyl]amino]phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[4-[(3,5-dinitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid Formula: C15H12N4O9S MolecularWeight: 424.34218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C15H12N4O9S/c20-14(21)8-16-29(27,28)13-3-1-10(2-4-13)17-15(22)9-5-11(18(23)24)7-12(6-9)19(25)26/h1-7,16H,8H2,(H,17,22)(H,20,21)